3-bromo-N-(naphthalen-2-ylmethyl)aniline

C17H14BrN — CID 28555096

IUPAC3-bromo-N-(naphthalen-2-ylmethyl)aniline
SMILESBrc1cccc(NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H14BrN/c18-16-6-3-7-17(11-16)19-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-11,19H,12H2
InChIKeyOXNNMIVLOBLPOR-UHFFFAOYSA-N
MW312.21 g/mol
LogP5.21
Rot. Bonds3

About 3-bromo-N-(naphthalen-2-ylmethyl)aniline

3-bromo-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 28555096) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-bromo-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(naphthalen-2-ylmethyl)aniline
PubChem CID28555096
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name3-bromo-N-(naphthalen-2-ylmethyl)aniline
SMILESBrc1cccc(NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C17H14BrN/c18-16-6-3-7-17(11-16)19-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-11,19H,12H2
InChIKeyOXNNMIVLOBLPOR-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(naphthalen-2-ylmethylamino)benzaldehyde
CID 142658488
3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
4-[(3-bromoanilino)methyl]benzoic acid
CID 39439101
3-bromo-N-[(4-propoxyphenyl)methyl]aniline
CID 29054457
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
CID 141147777
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of 3-bromo-N-(naphthalen-2-ylmethyl)aniline (CID 28555096) is 3-bromo-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for 3-bromo-N-(naphthalen-2-ylmethyl)aniline is Brc1cccc(NCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-bromo-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is OXNNMIVLOBLPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c18-16-6-3-7-17(11-16)19-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-11,19H,12H2.
What are the key properties of 3-bromo-N-(naphthalen-2-ylmethyl)aniline?
3-bromo-N-(naphthalen-2-ylmethyl)aniline has a molecular weight of 312.21 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 28555096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).