N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine

C16H17ClFN — CID 63424149

IUPACN-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H17ClFN/c1-11(2)19-10-14-4-3-13(9-16(14)18)12-5-7-15(17)8-6-12/h3-9,11,19H,10H2,1-2H3
InChIKeyVLOIYKUHCPDECA-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.64
Rot. Bonds4

About N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine

N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine (PubChem CID 63424149) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
PubChem CID63424149
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C16H17ClFN/c1-11(2)19-10-14-4-3-13(9-16(14)18)12-5-7-15(17)8-6-12/h3-9,11,19H,10H2,1-2H3
InChIKeyVLOIYKUHCPDECA-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115504145
N-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]propan-2-amine
CID 61077044
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]propan-2-amine
CID 104738829
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
CID 63424453
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66007664
N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66097006
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
CID 104868033
N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
CID 62490162

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine (CID 63424149) is N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
The InChIKey is VLOIYKUHCPDECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(2)19-10-14-4-3-13(9-16(14)18)12-5-7-15(17)8-6-12/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine?
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 63424149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).