1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine

C15H22ClN3 — CID 111792982

IUPAC1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine
SMILESC/N=C(\NCCCC1CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3/c1-17-15(18-9-3-5-12-7-8-12)19-11-13-4-2-6-14(16)10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3,(H2,17,18,19)
InChIKeyWEAIGOLUYSCBNA-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.20
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine

1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine (PubChem CID 111792982) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine
PubChem CID111792982
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine
SMILESC/N=C(\NCCCC1CC1)NCc1cccc(Cl)c1
InChIInChI=1S/C15H22ClN3/c1-17-15(18-9-3-5-12-7-8-12)19-11-13-4-2-6-14(16)10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3,(H2,17,18,19)
InChIKeyWEAIGOLUYSCBNA-UHFFFAOYSA-N
XLogP3.20
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine;hydroiodide
CID 111792981
1-[(3-cyanophenyl)methyl]-3-(3-cyclopentylpropyl)-2-methylguanidine
CID 111946979
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]-2-methylguanidine
CID 111176582
1-(3-cyclopropylpropyl)-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111794203
1-[4-[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111176425
1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)ethyl]-2-methylguanidine
CID 111176346
1-[(3-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111175986
2-[3-[[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111609110
1-[(3-chlorophenyl)methyl]-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111176822
1-[(3-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111175985
1-[(3-chlorophenyl)methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111177238
1-[(3-chlorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137403

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine (CID 111792982) is 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine is C/N=C(\NCCCC1CC1)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine?
The InChIKey is WEAIGOLUYSCBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-17-15(18-9-3-5-12-7-8-12)19-11-13-4-2-6-14(16)10-13/h2,4,6,10,12H,3,5,7-9,11H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine?
1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine has a molecular weight of 279.81 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(3-cyclopropylpropyl)-2-methylguanidine is sourced from PubChem (CID 111792982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).