N-benzhydryl-2-bromopropan-1-amine

C16H18BrN — CID 57148463

IUPACN-benzhydryl-2-bromopropan-1-amine
SMILESCC(Br)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18BrN/c1-13(17)12-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3
InChIKeyYTLQAQYBVWEQLU-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.15
Rot. Bonds5

About N-benzhydryl-2-bromopropan-1-amine

N-benzhydryl-2-bromopropan-1-amine (PubChem CID 57148463) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-benzhydryl-2-bromopropan-1-amine.

Molecular Properties

Compound NameN-benzhydryl-2-bromopropan-1-amine
PubChem CID57148463
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-benzhydryl-2-bromopropan-1-amine
SMILESCC(Br)CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18BrN/c1-13(17)12-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3
InChIKeyYTLQAQYBVWEQLU-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 43312171
N-benzhydrylethanamine;ethane
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1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261
N-(2-bromopropyl)aniline
CID 13183607
N'-benzhydrylmethanediamine
CID 142515957
4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 66092508
2-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 115974879
1-bromoethylbenzene
CID 11454
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
CID 60816952

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-bromopropan-1-amine?
The IUPAC name of N-benzhydryl-2-bromopropan-1-amine (CID 57148463) is N-benzhydryl-2-bromopropan-1-amine.
What is the SMILES notation for N-benzhydryl-2-bromopropan-1-amine?
The canonical SMILES for N-benzhydryl-2-bromopropan-1-amine is CC(Br)CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-bromopropan-1-amine?
The InChIKey is YTLQAQYBVWEQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-13(17)12-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3.
What are the key properties of N-benzhydryl-2-bromopropan-1-amine?
N-benzhydryl-2-bromopropan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-bromopropan-1-amine is sourced from PubChem (CID 57148463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).