1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine

C16H17ClFN — CID 43194840

IUPAC1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-2-16(13-5-7-14(17)8-6-13)19-11-12-3-9-15(18)10-4-12/h3-10,16,19H,2,11H2,1H3
InChIKeyUOZKFSVZNUFBAQ-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.72
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine

1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 43194840) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
PubChem CID43194840
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-2-16(13-5-7-14(17)8-6-13)19-11-12-3-9-15(18)10-4-12/h3-10,16,19H,2,11H2,1H3
InChIKeyUOZKFSVZNUFBAQ-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
(1R)-1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 28970329
1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
CID 63000908
1-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 112812779
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43435149
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine (CID 43194840) is 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine is CCC(NCc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is UOZKFSVZNUFBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-16(13-5-7-14(17)8-6-13)19-11-12-3-9-15(18)10-4-12/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43194840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).