N-(bromomethyl)aniline

C7H8BrN — CID 66636223

IUPACN-(bromomethyl)aniline
SMILESBrCNc1ccccc1
InChIInChI=1S/C7H8BrN/c8-6-9-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyWOENYJOXHJRRNB-UHFFFAOYSA-N
MW186.05 g/mol
LogP2.45
Rot. Bonds2

About N-(bromomethyl)aniline

N-(bromomethyl)aniline (PubChem CID 66636223) has the molecular formula C7H8BrN and a molecular weight of 186.05 g/mol. Its IUPAC name is N-(bromomethyl)aniline.

Molecular Properties

Compound NameN-(bromomethyl)aniline
PubChem CID66636223
Molecular FormulaC7H8BrN
Molecular Weight186.05 g/mol
Exact Mass184.98
IUPAC NameN-(bromomethyl)aniline
SMILESBrCNc1ccccc1
InChIInChI=1S/C7H8BrN/c8-6-9-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyWOENYJOXHJRRNB-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)aniline
CID 20759134
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-(2-bromo-2,2-difluoroethyl)aniline
CID 130551729
ethane;N'-phenylethane-1,2-diamine
CID 91048519
(E)-N,N'-diphenylbut-2-ene-1,4-diamine
CID 101288969
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
N-(2-bromopropyl)aniline
CID 13183607
ethane;N-(2-phenylethyl)aniline
CID 91194556
magnesium;N-ethylaniline;dibromide
CID 175384218
N-(2-iodoethyl)aniline
CID 11184197
CID 163931246
CID 163931246

Frequently Asked Questions

What is the IUPAC name of N-(bromomethyl)aniline?
The IUPAC name of N-(bromomethyl)aniline (CID 66636223) is N-(bromomethyl)aniline.
What is the SMILES notation for N-(bromomethyl)aniline?
The canonical SMILES for N-(bromomethyl)aniline is BrCNc1ccccc1.
What is the InChIKey of N-(bromomethyl)aniline?
The InChIKey is WOENYJOXHJRRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN/c8-6-9-7-4-2-1-3-5-7/h1-5,9H,6H2.
What are the key properties of N-(bromomethyl)aniline?
N-(bromomethyl)aniline has a molecular weight of 186.05 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bromomethyl)aniline is sourced from PubChem (CID 66636223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).