3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine

C11H16ClNO — CID 82284469

IUPAC3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1cc(C)c(CCCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-6-11(14-2)10(12)7-9(8)4-3-5-13/h6-7H,3-5,13H2,1-2H3
InChIKeyAYADACAZXTZWNS-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.55
Rot. Bonds4

About 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine

3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine (PubChem CID 82284469) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
PubChem CID82284469
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1cc(C)c(CCCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-6-11(14-2)10(12)7-9(8)4-3-5-13/h6-7H,3-5,13H2,1-2H3
InChIKeyAYADACAZXTZWNS-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(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

3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
3-(5-chloro-4-methoxy-2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 98784567
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(chloromethyl)-N-methylethanamine
CID 115263511
3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine (CID 82284469) is 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine is COc1cc(C)c(CCCN)cc1Cl.
What is the InChIKey of 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
The InChIKey is AYADACAZXTZWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-6-11(14-2)10(12)7-9(8)4-3-5-13/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine?
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine has a molecular weight of 213.71 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 82284469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).