3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine

C12H18ClNO — CID 117328034

IUPAC3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
SMILESCOc1c(Cl)c(C)cc(C)c1CCCN
InChIInChI=1S/C12H18ClNO/c1-8-7-9(2)11(13)12(15-3)10(8)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyGHOHVEADHRNKSO-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.86
Rot. Bonds4

About 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine

3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine (PubChem CID 117328034) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
PubChem CID117328034
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine
SMILESCOc1c(Cl)c(C)cc(C)c1CCCN
InChIInChI=1S/C12H18ClNO/c1-8-7-9(2)11(13)12(15-3)10(8)5-4-6-14/h7H,4-6,14H2,1-3H3
InChIKeyGHOHVEADHRNKSO-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
4-(3-bromo-2-methoxy-4,6-dimethylphenyl)butan-1-amine
CID 117461386
(3-chloro-2-methoxy-4,6-dimethylphenyl)methanesulfonyl chloride
CID 117454939
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
CID 84692181
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)butan-1-amine
CID 117356666
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine (CID 117328034) is 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine is COc1c(Cl)c(C)cc(C)c1CCCN.
What is the InChIKey of 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine?
The InChIKey is GHOHVEADHRNKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8-7-9(2)11(13)12(15-3)10(8)5-4-6-14/h7H,4-6,14H2,1-3H3.
What are the key properties of 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine?
3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 117328034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).