3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine

C12H18ClNO2 — CID 117361457

IUPAC3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
SMILESCOc1c(Cl)cc(C)c(CCCN)c1OC
InChIInChI=1S/C12H18ClNO2/c1-8-7-10(13)12(16-3)11(15-2)9(8)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyLADWYMNSGAEHOH-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.56
Rot. Bonds5

About 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine

3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine (PubChem CID 117361457) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
PubChem CID117361457
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
SMILESCOc1c(Cl)cc(C)c(CCCN)c1OC
InChIInChI=1S/C12H18ClNO2/c1-8-7-10(13)12(16-3)11(15-2)9(8)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyLADWYMNSGAEHOH-UHFFFAOYSA-N
XLogP2.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
CID 117328034
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)butan-1-amine
CID 117356666
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
4-(3-bromo-2-methoxy-4,6-dimethylphenyl)butan-1-amine
CID 117461386
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine (CID 117361457) is 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine is COc1c(Cl)cc(C)c(CCCN)c1OC.
What is the InChIKey of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine?
The InChIKey is LADWYMNSGAEHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-8-7-10(13)12(16-3)11(15-2)9(8)5-4-6-14/h7H,4-6,14H2,1-3H3.
What are the key properties of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine?
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine has a molecular weight of 243.73 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine is sourced from PubChem (CID 117361457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).