1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine

C24H32N4O2 — CID 111577765

IUPAC1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1OCC1CC1
InChIInChI=1S/C24H32N4O2/c1-25-24(27-17-21-4-2-3-5-23(21)30-18-20-6-7-20)26-16-19-8-10-22(11-9-19)28-12-14-29-15-13-28/h2-5,8-11,20H,6-7,12-18H2,1H3,(H2,25,26,27)
InChIKeyHWSIJZRQOJWEAQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.18
Rot. Bonds8

About 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine

1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine (PubChem CID 111577765) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
PubChem CID111577765
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1OCC1CC1
InChIInChI=1S/C24H32N4O2/c1-25-24(27-17-21-4-2-3-5-23(21)30-18-20-6-7-20)26-16-19-8-10-22(11-9-19)28-12-14-29-15-13-28/h2-5,8-11,20H,6-7,12-18H2,1H3,(H2,25,26,27)
InChIKeyHWSIJZRQOJWEAQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111577162
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111577118
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111881743
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111576577
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-propylguanidine
CID 111577185
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111577401
1-[(6-chloro-3-pyridinyl)methyl]-3-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111577338
1-butyl-3-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methylguanidine
CID 111576783
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111577922
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111577568
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylguanidine
CID 111577605
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111577189

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
The IUPAC name of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine (CID 111577765) is 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine is C/N=C(/NCc1ccc(N2CCOCC2)cc1)NCc1ccccc1OCC1CC1.
What is the InChIKey of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
The InChIKey is HWSIJZRQOJWEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-25-24(27-17-21-4-2-3-5-23(21)30-18-20-6-7-20)26-16-19-8-10-22(11-9-19)28-12-14-29-15-13-28/h2-5,8-11,20H,6-7,12-18H2,1H3,(H2,25,26,27).
What are the key properties of 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine?
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine has a molecular weight of 408.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[(4-morpholin-4-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111577765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).