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

C16H16Br3N — CID 107979789

IUPACN-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br3N/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
InChIKeyKNSLEQTYLXEDDY-UHFFFAOYSA-N
MW462.02 g/mol
LogP6.06
Rot. Bonds5

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

N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine (PubChem CID 107979789) has the molecular formula C16H16Br3N and a molecular weight of 462.02 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
PubChem CID107979789
Molecular FormulaC16H16Br3N
Molecular Weight462.02 g/mol
Exact Mass458.88
IUPAC NameN-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H16Br3N/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
InChIKeyKNSLEQTYLXEDDY-UHFFFAOYSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.02
LogP ≤ 56.06
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)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
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-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43494512
N-[(3,5-dibromophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107974191
N-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
N-[(4-bromo-3,5-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114330791
N-[(3-bromo-5-fluorophenyl)-(5-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 79722730
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine (CID 107979789) is N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine?
The InChIKey is KNSLEQTYLXEDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br3N/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-dibromophenyl)methyl]propan-1-amine?
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine has a molecular weight of 462.02 g/mol, XLogP of 6.06, 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-dibromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 107979789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).