3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine

C11H16ClNO — CID 84734799

IUPAC3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1c(Cl)cccc1OC
InChIInChI=1S/C11H16ClNO/c1-13-8-4-5-9-10(12)6-3-7-11(9)14-2/h3,6-7,13H,4-5,8H2,1-2H3
InChIKeyGTUJPSPXGHDJCJ-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.50
Rot. Bonds5

About 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine

3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 84734799) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID84734799
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1c(Cl)cccc1OC
InChIInChI=1S/C11H16ClNO/c1-13-8-4-5-9-10(12)6-3-7-11(9)14-2/h3,6-7,13H,4-5,8H2,1-2H3
InChIKeyGTUJPSPXGHDJCJ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-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 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine (CID 84734799) is 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine is CNCCCc1c(Cl)cccc1OC.
What is the InChIKey of 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is GTUJPSPXGHDJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-13-8-4-5-9-10(12)6-3-7-11(9)14-2/h3,6-7,13H,4-5,8H2,1-2H3.
What are the key properties of 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine?
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 84734799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).