N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

C14H18ClN3O — CID 17156302

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCOc1ccc(Cl)cc1CNCCCn1ccnc1
InChIInChI=1S/C14H18ClN3O/c1-19-14-4-3-13(15)9-12(14)10-16-5-2-7-18-8-6-17-11-18/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3
InChIKeyVNFNYGIFQYBDFH-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.72
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 17156302) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID17156302
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCOc1ccc(Cl)cc1CNCCCn1ccnc1
InChIInChI=1S/C14H18ClN3O/c1-19-14-4-3-13(15)9-12(14)10-16-5-2-7-18-8-6-17-11-18/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3
InChIKeyVNFNYGIFQYBDFH-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 17156302) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is COc1ccc(Cl)cc1CNCCCn1ccnc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is VNFNYGIFQYBDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-19-14-4-3-13(15)9-12(14)10-16-5-2-7-18-8-6-17-11-18/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 17156302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).