1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine

C16H17ClFN — CID 65025476

IUPAC1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine
SMILESFc1cccc(CNC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C16H17ClFN/c17-11-16(10-13-5-2-1-3-6-13)19-12-14-7-4-8-15(18)9-14/h1-9,16,19H,10-12H2
InChIKeyJXSAEETZMDEMMO-UHFFFAOYSA-N
MW277.77 g/mol
LogP3.77
Rot. Bonds6

About 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine

1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine (PubChem CID 65025476) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine
PubChem CID65025476
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine
SMILESFc1cccc(CNC(CCl)Cc2ccccc2)c1
InChIInChI=1S/C16H17ClFN/c17-11-16(10-13-5-2-1-3-6-13)19-12-14-7-4-8-15(18)9-14/h1-9,16,19H,10-12H2
InChIKeyJXSAEETZMDEMMO-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-[(3-chlorophenyl)methyl]-3-phenylpropan-2-amine
CID 65025931
N-[(3-bromo-5-fluorophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 79708953
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-phenylpropan-2-amine
CID 65025532
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
N-[(2-bromophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65026156
N-[(3-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900017
3-fluoro-5-[[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]methyl]phenol
CID 104922782
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
N-(1-chloro-3-phenylpropan-2-yl)-3,3,3-trifluoropropan-1-amine
CID 65025592
N-[(3-chloro-4-fluorophenyl)methyl]-1-phenylbutan-2-amine
CID 79008350
(2S)-2-[(2-chloro-4-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 102610186

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine (CID 65025476) is 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine is Fc1cccc(CNC(CCl)Cc2ccccc2)c1.
What is the InChIKey of 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine?
The InChIKey is JXSAEETZMDEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c17-11-16(10-13-5-2-1-3-6-13)19-12-14-7-4-8-15(18)9-14/h1-9,16,19H,10-12H2.
What are the key properties of 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine?
1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3-fluorophenyl)methyl]-3-phenylpropan-2-amine is sourced from PubChem (CID 65025476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).