N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine

C16H16BrF2N — CID 43494532

IUPACN-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-7-20-16(11-3-5-13(17)6-4-11)12-8-14(18)10-15(19)9-12/h3-6,8-10,16,20H,2,7H2,1H3
InChIKeyQYJRJMDBNLELDM-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.82
Rot. Bonds5

About N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine

N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine (PubChem CID 43494532) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
PubChem CID43494532
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-7-20-16(11-3-5-13(17)6-4-11)12-8-14(18)10-15(19)9-12/h3-6,8-10,16,20H,2,7H2,1H3
InChIKeyQYJRJMDBNLELDM-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79704331
N-[(3-bromo-5-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 66423866
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[(4-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 115851486
N-[(4-bromophenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704190
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
N-[(5-bromothiophen-3-yl)-(3,5-difluorophenyl)methyl]propan-1-amine
CID 105142114
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(4-bromophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 79722730
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43629874

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine (CID 43494532) is N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine?
The InChIKey is QYJRJMDBNLELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-7-20-16(11-3-5-13(17)6-4-11)12-8-14(18)10-15(19)9-12/h3-6,8-10,16,20H,2,7H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine?
N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(3,5-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43494532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).