[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine

C15H17ClN2 — CID 79103464

IUPAC[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
SMILESNC(c1ccn(Cc2cccc(Cl)c2)c1)C1CC1
InChIInChI=1S/C15H17ClN2/c16-14-3-1-2-11(8-14)9-18-7-6-13(10-18)15(17)12-4-5-12/h1-3,6-8,10,12,15H,4-5,9,17H2
InChIKeyQTKBFHHUBDIEKP-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.60
Rot. Bonds4

About [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine

[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine (PubChem CID 79103464) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
PubChem CID79103464
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
SMILESNC(c1ccn(Cc2cccc(Cl)c2)c1)C1CC1
InChIInChI=1S/C15H17ClN2/c16-14-3-1-2-11(8-14)9-18-7-6-13(10-18)15(17)12-4-5-12/h1-3,6-8,10,12,15H,4-5,9,17H2
InChIKeyQTKBFHHUBDIEKP-UHFFFAOYSA-N
XLogP3.60
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine 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 [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
The IUPAC name of [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine (CID 79103464) is [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine is NC(c1ccn(Cc2cccc(Cl)c2)c1)C1CC1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
The InChIKey is QTKBFHHUBDIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-14-3-1-2-11(8-14)9-18-7-6-13(10-18)15(17)12-4-5-12/h1-3,6-8,10,12,15H,4-5,9,17H2.
What are the key properties of [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine?
[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine has a molecular weight of 260.77 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanamine is sourced from PubChem (CID 79103464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).