N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine

C17H19ClFN — CID 79705264

IUPACN-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-3-7-20-17(13-5-4-6-15(18)10-13)14-8-12(2)9-16(19)11-14/h4-6,8-11,17,20H,3,7H2,1-2H3
InChIKeyYXKRVVPKHINNAB-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.88
Rot. Bonds5

About N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 79705264) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID79705264
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClFN/c1-3-7-20-17(13-5-4-6-15(18)10-13)14-8-12(2)9-16(19)11-14/h4-6,8-11,17,20H,3,7H2,1-2H3
InChIKeyYXKRVVPKHINNAB-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-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496369
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
N-[(3,5-dichlorophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016496
N-[(4-chloro-3-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 107992020
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 79705264) is N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is YXKRVVPKHINNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-7-20-17(13-5-4-6-15(18)10-13)14-8-12(2)9-16(19)11-14/h4-6,8-11,17,20H,3,7H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(3-fluoro-5-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-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 79705264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).