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

C17H19ClFN — CID 81365780

IUPAC1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-3-17(14-7-4-8-15(18)10-14)20-12(2)13-6-5-9-16(19)11-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1
InChIKeyGLSLMQUQYTVKHI-WHUIICBVSA-N
MW291.80 g/mol
LogP5.28
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 81365780) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
PubChem CID81365780
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-3-17(14-7-4-8-15(18)10-14)20-12(2)13-6-5-9-16(19)11-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1
InChIKeyGLSLMQUQYTVKHI-WHUIICBVSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.80
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(3-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 43674019
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
1-(3-chlorophenyl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43674027
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine (CID 81365780) is 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine is CCC(N[C@@H](C)c1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is GLSLMQUQYTVKHI-WHUIICBVSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-17(14-7-4-8-15(18)10-14)20-12(2)13-6-5-9-16(19)11-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81365780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).