N-(2-bromopropyl)aniline

C9H12BrN — CID 13183607

IUPACN-(2-bromopropyl)aniline
SMILESCC(Br)CNc1ccccc1
InChIInChI=1S/C9H12BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyAVRKXYNZMOVLGW-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.88
Rot. Bonds3

About N-(2-bromopropyl)aniline

N-(2-bromopropyl)aniline (PubChem CID 13183607) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is N-(2-bromopropyl)aniline.

Molecular Properties

Compound NameN-(2-bromopropyl)aniline
PubChem CID13183607
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC NameN-(2-bromopropyl)aniline
SMILESCC(Br)CNc1ccccc1
InChIInChI=1S/C9H12BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyAVRKXYNZMOVLGW-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.88
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

N-(2-methylsulfanylpropyl)aniline
CID 62582287
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075486
N-(2,3,5-trimethylhexyl)aniline
CID 167250577
N-(2-methylsulfonylpropyl)aniline
CID 104519124
3-anilino-2-methylpropanethioamide
CID 82075999
1-anilino-2-methylpentan-3-ol
CID 69294698
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
N-benzhydryl-2-bromopropan-1-amine
CID 57148463
N-(2-propoxypropyl)aniline
CID 62585259
4-anilino-N,N,2,3-tetramethylbutan-2-amine oxide
CID 163495945
3-anilino-2-methyl-1-phenylpropan-1-one
CID 13467340

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)aniline?
The IUPAC name of N-(2-bromopropyl)aniline (CID 13183607) is N-(2-bromopropyl)aniline.
What is the SMILES notation for N-(2-bromopropyl)aniline?
The canonical SMILES for N-(2-bromopropyl)aniline is CC(Br)CNc1ccccc1.
What is the InChIKey of N-(2-bromopropyl)aniline?
The InChIKey is AVRKXYNZMOVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3.
What are the key properties of N-(2-bromopropyl)aniline?
N-(2-bromopropyl)aniline has a molecular weight of 214.11 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)aniline is sourced from PubChem (CID 13183607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).