3-(3-methylphenyl)propan-1-imine

C10H13N — CID 88993030

IUPAC3-(3-methylphenyl)propan-1-imine
SMILES[H]/N=C/CCc1cccc(C)c1
InChIInChI=1S/C10H13N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,7-8,11H,3,6H2,1H3/b11-7+
InChIKeyVVKBREONZOQDAD-YRNVUSSQSA-N
MW147.22 g/mol
LogP2.58
Rot. Bonds3

About 3-(3-methylphenyl)propan-1-imine

3-(3-methylphenyl)propan-1-imine (PubChem CID 88993030) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-(3-methylphenyl)propan-1-imine.

Molecular Properties

Compound Name3-(3-methylphenyl)propan-1-imine
PubChem CID88993030
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-(3-methylphenyl)propan-1-imine
SMILES[H]/N=C/CCc1cccc(C)c1
InChIInChI=1S/C10H13N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,7-8,11H,3,6H2,1H3/b11-7+
InChIKeyVVKBREONZOQDAD-YRNVUSSQSA-N
XLogP2.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-methylphenyl)propan-1-imine 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

3-(3-iminopropyl)phenol
CID 142028665
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
2-(3-methylphenyl)ethanolate
CID 142208639
ethyl (E)-5-(3-methylphenyl)pent-2-enoate
CID 140750372
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
N-ethoxy-3-(3-methylphenyl)propan-1-imine
CID 54106266
1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
CID 15545601
3-(3-methylphenyl)propan-1-amine
CID 12666388
1-methyl-3-(4-methylphenyl)benzene;propan-1-imine
CID 144963776
1-methyl-3-[(E)-4-phenylbut-1-enyl]benzene
CID 102140920
2-(3-methylphenyl)ethanesulfonic acid
CID 87590537
1-[(Z)-hex-2-enyl]-3-methylbenzene
CID 101190405

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)propan-1-imine?
The IUPAC name of 3-(3-methylphenyl)propan-1-imine (CID 88993030) is 3-(3-methylphenyl)propan-1-imine.
What is the SMILES notation for 3-(3-methylphenyl)propan-1-imine?
The canonical SMILES for 3-(3-methylphenyl)propan-1-imine is [H]/N=C/CCc1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenyl)propan-1-imine?
The InChIKey is VVKBREONZOQDAD-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H13N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,7-8,11H,3,6H2,1H3/b11-7+.
What are the key properties of 3-(3-methylphenyl)propan-1-imine?
3-(3-methylphenyl)propan-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)propan-1-imine is sourced from PubChem (CID 88993030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).