2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline

C18H15Br2N — CID 43736721

IUPAC2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1cccc2ccccc12
InChIInChI=1S/C18H15Br2N/c1-12(21-18-11-14(19)9-10-17(18)20)15-8-4-6-13-5-2-3-7-16(13)15/h2-12,21H,1H3
InChIKeyFUCJFMAXBAXACJ-UHFFFAOYSA-N
MW405.13 g/mol
LogP6.54
Rot. Bonds3

About 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline

2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline (PubChem CID 43736721) has the molecular formula C18H15Br2N and a molecular weight of 405.13 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline
PubChem CID43736721
Molecular FormulaC18H15Br2N
Molecular Weight405.13 g/mol
Exact Mass402.96
IUPAC Name2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1cccc2ccccc12
InChIInChI=1S/C18H15Br2N/c1-12(21-18-11-14(19)9-10-17(18)20)15-8-4-6-13-5-2-3-7-16(13)15/h2-12,21H,1H3
InChIKeyFUCJFMAXBAXACJ-UHFFFAOYSA-N
XLogP6.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.13
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727
3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 107582351
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
N-[1-(1-benzothiophen-2-yl)ethyl]-2,5-dibromoaniline
CID 114909766
2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
CID 15066371
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
CID 67447245
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
4-chloro-2-iodo-N-(1-naphthalen-1-ylethyl)aniline
CID 107632024
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline?
The IUPAC name of 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline (CID 43736721) is 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline is CC(Nc1cc(Br)ccc1Br)c1cccc2ccccc12.
What is the InChIKey of 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline?
The InChIKey is FUCJFMAXBAXACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N/c1-12(21-18-11-14(19)9-10-17(18)20)15-8-4-6-13-5-2-3-7-16(13)15/h2-12,21H,1H3.
What are the key properties of 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline?
2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline has a molecular weight of 405.13 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline is sourced from PubChem (CID 43736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).