1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine

C19H26N4 — CID 110954316

IUPAC1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C19H26N4/c1-20-19(21-13-16-7-5-4-6-8-16)22-14-17-9-11-18(12-10-17)15-23(2)3/h4-12H,13-15H2,1-3H3,(H2,20,21,22)
InChIKeyFHPXEMKHAOVISH-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.61
Rot. Bonds6

About 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine

1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine (PubChem CID 110954316) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine
PubChem CID110954316
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C19H26N4/c1-20-19(21-13-16-7-5-4-6-8-16)22-14-17-9-11-18(12-10-17)15-23(2)3/h4-12H,13-15H2,1-3H3,(H2,20,21,22)
InChIKeyFHPXEMKHAOVISH-UHFFFAOYSA-N
XLogP2.61
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111901051
1-benzyl-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110953592
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111345421
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978891
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111257510
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941949
1-[2-[benzyl(methyl)amino]ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232999
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111182542
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191380
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111161874
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine
CID 111866204
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377393

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine?
The IUPAC name of 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine (CID 110954316) is 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine is C/N=C(\NCc1ccccc1)NCc1ccc(CN(C)C)cc1.
What is the InChIKey of 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine?
The InChIKey is FHPXEMKHAOVISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-20-19(21-13-16-7-5-4-6-8-16)22-14-17-9-11-18(12-10-17)15-23(2)3/h4-12H,13-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine?
1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine has a molecular weight of 310.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-methylguanidine is sourced from PubChem (CID 110954316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).