2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine

C12H18ClNO — CID 117327994

IUPAC2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
SMILESCCc1c(Cl)cc(C(C)(C)N)cc1OC
InChIInChI=1S/C12H18ClNO/c1-5-9-10(13)6-8(12(2,3)14)7-11(9)15-4/h6-7H,5,14H2,1-4H3
InChIKeyACULIIMHVFTCAI-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.10
Rot. Bonds3

About 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine

2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine (PubChem CID 117327994) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
PubChem CID117327994
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
SMILESCCc1c(Cl)cc(C(C)(C)N)cc1OC
InChIInChI=1S/C12H18ClNO/c1-5-9-10(13)6-8(12(2,3)14)7-11(9)15-4/h6-7H,5,14H2,1-4H3
InChIKeyACULIIMHVFTCAI-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-ethyl-5-methoxyphenyl)-2-methylpropan-2-amine
CID 117356705
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
5-bromo-1-chloro-2-ethyl-3-methoxybenzene
CID 84707034
1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
CID 117356696
2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
CID 117398199
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974
1-(3-chloro-4-ethyl-5-methoxyphenyl)-N-methoxymethanamine
CID 117331660
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclohexan-1-amine
CID 117423312
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropan-1-ol
CID 117326102
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
CID 117465357
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine (CID 117327994) is 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine is CCc1c(Cl)cc(C(C)(C)N)cc1OC.
What is the InChIKey of 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine?
The InChIKey is ACULIIMHVFTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-5-9-10(13)6-8(12(2,3)14)7-11(9)15-4/h6-7H,5,14H2,1-4H3.
What are the key properties of 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine?
2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117327994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).