2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine

C11H16ClNO — CID 82284471

IUPAC2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C(C)CN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-7-4-11(14-3)10(12)5-9(7)8(2)6-13/h4-5,8H,6,13H2,1-3H3
InChIKeyLONWRJPOSSEELM-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine

2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine (PubChem CID 82284471) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
PubChem CID82284471
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C(C)CN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-7-4-11(14-3)10(12)5-9(7)8(2)6-13/h4-5,8H,6,13H2,1-3H3
InChIKeyLONWRJPOSSEELM-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-4-methoxy-2-methylphenyl)propan-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

Related Compounds

2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
2-[2-(4-methoxy-2,5-dimethylphenyl)propyl]propane-1,3-diamine
CID 83927774
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977
2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671
2-[1-(5-chloro-2-methoxy-4-methylphenyl)ethyl]propane-1,3-diamine
CID 83937480
1-amino-4-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-ol
CID 83937557
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
1-amino-4-(5-chloro-2,4-dimethoxyphenyl)pentan-2-ol
CID 83943372
1-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933090

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine (CID 82284471) is 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine is COc1cc(C)c(C(C)CN)cc1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
The InChIKey is LONWRJPOSSEELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7-4-11(14-3)10(12)5-9(7)8(2)6-13/h4-5,8H,6,13H2,1-3H3.
What are the key properties of 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 82284471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).