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

C11H16ClNO — CID 84783186

IUPAC3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1c(C)cc(CCCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-6-9(4-3-5-13)7-10(12)11(8)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyNQUPTSBNRSFMJR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.55
Rot. Bonds4

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

3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine (PubChem CID 84783186) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
PubChem CID84783186
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
SMILESCOc1c(C)cc(CCCN)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-6-9(4-3-5-13)7-10(12)11(8)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyNQUPTSBNRSFMJR-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

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Related Compounds

3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
5-(3-aminopropyl)-2-methoxy-3-methylbenzonitrile
CID 117292799
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
4-(3-bromo-4-methoxy-5-methylphenyl)butan-1-amine
CID 117433058
4-(3-chloro-4-methoxy-5-methylsulfonylphenyl)butan-1-amine
CID 117471300
1-(3-chloro-4-methoxy-5-methylphenyl)-N-methylmethanamine
CID 83831691
4-(3-chloro-5-methoxy-4-methylphenyl)butan-1-amine
CID 117328078
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)butan-1-amine
CID 117356666
3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
CID 117328034
1-(3,5-dichloro-4-methoxyphenyl)heptan-4-amine
CID 83928598
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine (CID 84783186) is 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine is COc1c(C)cc(CCCN)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine?
The InChIKey is NQUPTSBNRSFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-6-9(4-3-5-13)7-10(12)11(8)14-2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine?
3-(3-chloro-4-methoxy-5-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-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 84783186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).