2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine

C13H20ClNO2 — CID 117398199

IUPAC2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
SMILESCCc1c(C(C)(C)N)cc(Cl)c(OC)c1OC
InChIInChI=1S/C13H20ClNO2/c1-6-8-9(13(2,3)15)7-10(14)12(17-5)11(8)16-4/h7H,6,15H2,1-5H3
InChIKeyDVJXJLVPRLVSBT-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.11
Rot. Bonds4

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

2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine (PubChem CID 117398199) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
PubChem CID117398199
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
SMILESCCc1c(C(C)(C)N)cc(Cl)c(OC)c1OC
InChIInChI=1S/C13H20ClNO2/c1-6-8-9(13(2,3)15)7-10(14)12(17-5)11(8)16-4/h7H,6,15H2,1-5H3
InChIKeyDVJXJLVPRLVSBT-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
2-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432460
O-[2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117403658
2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
CID 117343901
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
[1-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117479564
(E)-3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117392432
2-(3-chloro-4-ethyl-5-methoxyphenyl)propan-2-amine
CID 117327994
3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)butan-1-amine
CID 117432464
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
2-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117377712

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine (CID 117398199) is 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine is CCc1c(C(C)(C)N)cc(Cl)c(OC)c1OC.
What is the InChIKey of 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine?
The InChIKey is DVJXJLVPRLVSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-6-8-9(13(2,3)15)7-10(14)12(17-5)11(8)16-4/h7H,6,15H2,1-5H3.
What are the key properties of 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine?
2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 117398199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).