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

C12H18ClNO2 — CID 117361507

IUPAC1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(C)c(CC(C)N)c1OC
InChIInChI=1S/C12H18ClNO2/c1-7-5-10(13)12(16-4)11(15-3)9(7)6-8(2)14/h5,8H,6,14H2,1-4H3
InChIKeyVROKUOLELJNWMK-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.56
Rot. Bonds4

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

1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine (PubChem CID 117361507) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
PubChem CID117361507
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(C)c(CC(C)N)c1OC
InChIInChI=1S/C12H18ClNO2/c1-7-5-10(13)12(16-4)11(15-3)9(7)6-8(2)14/h5,8H,6,14H2,1-4H3
InChIKeyVROKUOLELJNWMK-UHFFFAOYSA-N
XLogP2.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361457
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
4-(2-aminopropyl)-5-chloro-2,3-dimethoxybenzaldehyde
CID 117397772
2-amino-3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propanoic acid
CID 117403269
1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
1-(5-chloro-2-methoxy-3-methyl-6-propan-2-ylphenyl)butan-2-amine
CID 170890133
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
CID 170891521
1-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-2-amine
CID 117432311

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine?
The IUPAC name of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine (CID 117361507) is 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine is COc1c(Cl)cc(C)c(CC(C)N)c1OC.
What is the InChIKey of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine?
The InChIKey is VROKUOLELJNWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-7-5-10(13)12(16-4)11(15-3)9(7)6-8(2)14/h5,8H,6,14H2,1-4H3.
What are the key properties of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine?
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine has a molecular weight of 243.73 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine is sourced from PubChem (CID 117361507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).