2-[3-(4-methylphenyl)propyl]guanidine

C11H17N3 — CID 95436878

IUPAC2-[3-(4-methylphenyl)propyl]guanidine
SMILESCc1ccc(CCCN=C(N)N)cc1
InChIInChI=1S/C11H17N3/c1-9-4-6-10(7-5-9)3-2-8-14-11(12)13/h4-7H,2-3,8H2,1H3,(H4,12,13,14)
InChIKeyCTJCVVWSPHKPJZ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.20
Rot. Bonds4

About 2-[3-(4-methylphenyl)propyl]guanidine

2-[3-(4-methylphenyl)propyl]guanidine (PubChem CID 95436878) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)propyl]guanidine
PubChem CID95436878
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[3-(4-methylphenyl)propyl]guanidine
SMILESCc1ccc(CCCN=C(N)N)cc1
InChIInChI=1S/C11H17N3/c1-9-4-6-10(7-5-9)3-2-8-14-11(12)13/h4-7H,2-3,8H2,1H3,(H4,12,13,14)
InChIKeyCTJCVVWSPHKPJZ-UHFFFAOYSA-N
XLogP1.20
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.20
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'}

Analyze 2-[3-(4-methylphenyl)propyl]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

2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
2-[4-(4-fluorophenyl)butyl]guanidine
CID 95440579
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
2-[[3-bromo-4-[3-(4-methylphenyl)propoxy]phenyl]methyl]guanidine
CID 139542544
2-[2-(2-methylphenyl)ethyl]guanidine;2-[2-(3-methylphenyl)ethyl]guanidine;2-[2-(4-methylphenyl)ethyl]guanidine
CID 159713930
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009
2-[2-(4-propan-2-ylphenyl)ethyl]guanidine;hydrochloride
CID 141469459
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-[3-[[fluoro-(4-methylphenyl)methyl]amino]propyl]guanidine
CID 66580256
N'-(3-phenylpropyl)propanimidamide
CID 62049417
N'-amino-3-(4-methylphenyl)propanimidamide
CID 62503804
2-[3-(2,5-dimethylphenoxy)propyl]guanidine
CID 95444582

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)propyl]guanidine?
The IUPAC name of 2-[3-(4-methylphenyl)propyl]guanidine (CID 95436878) is 2-[3-(4-methylphenyl)propyl]guanidine.
What is the SMILES notation for 2-[3-(4-methylphenyl)propyl]guanidine?
The canonical SMILES for 2-[3-(4-methylphenyl)propyl]guanidine is Cc1ccc(CCCN=C(N)N)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)propyl]guanidine?
The InChIKey is CTJCVVWSPHKPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-4-6-10(7-5-9)3-2-8-14-11(12)13/h4-7H,2-3,8H2,1H3,(H4,12,13,14).
What are the key properties of 2-[3-(4-methylphenyl)propyl]guanidine?
2-[3-(4-methylphenyl)propyl]guanidine has a molecular weight of 191.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)propyl]guanidine is sourced from PubChem (CID 95436878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).