N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine

C17H19ClFN — CID 63414114

IUPACN-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cc(F)ccc1C
InChIInChI=1S/C17H19ClFN/c1-3-10-20-17(13-5-7-14(18)8-6-13)16-11-15(19)9-4-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyICJVTNQXWHUYHJ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.88
Rot. Bonds5

About N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine

N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 63414114) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID63414114
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cc(F)ccc1C
InChIInChI=1S/C17H19ClFN/c1-3-10-20-17(13-5-7-14(18)8-6-13)16-11-15(19)9-4-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyICJVTNQXWHUYHJ-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(3-bromo-4-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 79722695
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(4-chlorophenyl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302959
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64715289
N-[(5-bromo-2-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397007

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 63414114) is N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)c1cc(F)ccc1C.
What is the InChIKey of N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is ICJVTNQXWHUYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-10-20-17(13-5-7-14(18)8-6-13)16-11-15(19)9-4-12(16)2/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63414114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).