1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine

C18H21ClFNO2 — CID 112831587

IUPAC1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C18H21ClFNO2/c1-12(15-6-5-14(20)11-16(15)19)21-9-8-13-4-7-17(22-2)18(10-13)23-3/h4-7,10-12,21H,8-9H2,1-3H3
InChIKeyKLRIXNZHUIOZNO-UHFFFAOYSA-N
MW337.82 g/mol
LogP4.39
Rot. Bonds7

About 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine

1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine (PubChem CID 112831587) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
PubChem CID112831587
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(CCNC(C)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C18H21ClFNO2/c1-12(15-6-5-14(20)11-16(15)19)21-9-8-13-4-7-17(22-2)18(10-13)23-3/h4-7,10-12,21H,8-9H2,1-3H3
InChIKeyKLRIXNZHUIOZNO-UHFFFAOYSA-N
XLogP4.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine 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

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
1-(5-chlorothiophen-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
CID 43438932
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
1-[2-(2-chloro-4-fluorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 111578027
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780933
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methoxy-5-methylaniline
CID 43761125

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine (CID 112831587) is 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine is COc1ccc(CCNC(C)c2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
The InChIKey is KLRIXNZHUIOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO2/c1-12(15-6-5-14(20)11-16(15)19)21-9-8-13-4-7-17(22-2)18(10-13)23-3/h4-7,10-12,21H,8-9H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine?
1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine has a molecular weight of 337.82 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 112831587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).