1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine

C18H21ClFN — CID 114347786

IUPAC1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1C)Cc1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-3-21-17(12-15-6-4-5-7-18(15)19)11-14-8-9-16(20)10-13(14)2/h4-10,17,21H,3,11-12H2,1-2H3
InChIKeyITOWEXOGIONDOV-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.55
Rot. Bonds6

About 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine

1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 114347786) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
PubChem CID114347786
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(F)cc1C)Cc1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-3-21-17(12-15-6-4-5-7-18(15)19)11-14-8-9-16(20)10-13(14)2/h4-10,17,21H,3,11-12H2,1-2H3
InChIKeyITOWEXOGIONDOV-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 107884603
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
1-(3-chloro-4-fluorophenyl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 103039913
N-ethyl-1-ethylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347936
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 102618580
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63415364

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine (CID 114347786) is 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine is CCNC(Cc1ccc(F)cc1C)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is ITOWEXOGIONDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-3-21-17(12-15-6-4-5-7-18(15)19)11-14-8-9-16(20)10-13(14)2/h4-10,17,21H,3,11-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine?
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 305.82 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 114347786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).