1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine

C17H19ClFN — CID 43677542

IUPAC1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)c1cccc(F)c1
InChIInChI=1S/C17H19ClFN/c1-12(10-15-6-3-4-9-17(15)18)20-13(2)14-7-5-8-16(19)11-14/h3-9,11-13,20H,10H2,1-2H3
InChIKeyYWOPEIJLXHESJO-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.76
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine

1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine (PubChem CID 43677542) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
PubChem CID43677542
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccccc1Cl)NC(C)c1cccc(F)c1
InChIInChI=1S/C17H19ClFN/c1-12(10-15-6-3-4-9-17(15)18)20-13(2)14-7-5-8-16(19)11-14/h3-9,11-13,20H,10H2,1-2H3
InChIKeyYWOPEIJLXHESJO-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 175732345
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 62089455
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine (CID 43677542) is 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine is CC(Cc1ccccc1Cl)NC(C)c1cccc(F)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is YWOPEIJLXHESJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-12(10-15-6-3-4-9-17(15)18)20-13(2)14-7-5-8-16(19)11-14/h3-9,11-13,20H,10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine?
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43677542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).