N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine

C18H16BrN — CID 43680266

IUPACN-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3
InChIKeyZANMMGMETSRFAY-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.78
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine

N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine (PubChem CID 43680266) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
PubChem CID43680266
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3
InChIKeyZANMMGMETSRFAY-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(naphthalen-2-ylamino)ethyl]benzonitrile
CID 43680303
N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
CID 82964453
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
N-[1-(4-bromophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 43721439
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375943
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine (CID 43680266) is N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine is CC(Nc1ccc2ccccc2c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine?
The InChIKey is ZANMMGMETSRFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-13(14-6-9-17(19)10-7-14)20-18-11-8-15-4-2-3-5-16(15)12-18/h2-13,20H,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine?
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine has a molecular weight of 326.24 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine is sourced from PubChem (CID 43680266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).