N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine

C17H19BrFN — CID 79704331

IUPACN-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H19BrFN/c1-3-8-20-17(13-4-6-15(18)7-5-13)14-9-12(2)10-16(19)11-14/h4-7,9-11,17,20H,3,8H2,1-2H3
InChIKeyHPKGAUMDSFCVQS-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.99
Rot. Bonds5

About N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine

N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 79704331) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID79704331
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1
InChIInChI=1S/C17H19BrFN/c1-3-8-20-17(13-4-6-15(18)7-5-13)14-9-12(2)10-16(19)11-14/h4-7,9-11,17,20H,3,8H2,1-2H3
InChIKeyHPKGAUMDSFCVQS-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 43494532
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
N-[(2-bromo-4-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016395
N-[(3-chloro-5-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016393
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(4-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 115851486
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 79704331) is N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1cc(C)cc(F)c1.
What is the InChIKey of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is HPKGAUMDSFCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-8-20-17(13-4-6-15(18)7-5-13)14-9-12(2)10-16(19)11-14/h4-7,9-11,17,20H,3,8H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine?
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 79704331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).