3-chloro-N-(1-naphthalen-2-ylethyl)aniline

C18H16ClN — CID 43098367

IUPAC3-chloro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H16ClN/c1-13(20-18-8-4-7-17(19)12-18)15-10-9-14-5-2-3-6-16(14)11-15/h2-13,20H,1H3
InChIKeyPEFLNAMDOXHDLG-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.67
Rot. Bonds3

About 3-chloro-N-(1-naphthalen-2-ylethyl)aniline

3-chloro-N-(1-naphthalen-2-ylethyl)aniline (PubChem CID 43098367) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-N-(1-naphthalen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-(1-naphthalen-2-ylethyl)aniline
PubChem CID43098367
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name3-chloro-N-(1-naphthalen-2-ylethyl)aniline
SMILESCC(Nc1cccc(Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H16ClN/c1-13(20-18-8-4-7-17(19)12-18)15-10-9-14-5-2-3-6-16(14)11-15/h2-13,20H,1H3
InChIKeyPEFLNAMDOXHDLG-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352
2,4-dichloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43097452
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
2-bromo-5-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 81268026
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
N-(1-naphthalen-2-ylethyl)thiophen-3-amine
CID 66351255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-naphthalen-2-ylethyl)aniline?
The IUPAC name of 3-chloro-N-(1-naphthalen-2-ylethyl)aniline (CID 43098367) is 3-chloro-N-(1-naphthalen-2-ylethyl)aniline.
What is the SMILES notation for 3-chloro-N-(1-naphthalen-2-ylethyl)aniline?
The canonical SMILES for 3-chloro-N-(1-naphthalen-2-ylethyl)aniline is CC(Nc1cccc(Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-chloro-N-(1-naphthalen-2-ylethyl)aniline?
The InChIKey is PEFLNAMDOXHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-13(20-18-8-4-7-17(19)12-18)15-10-9-14-5-2-3-6-16(14)11-15/h2-13,20H,1H3.
What are the key properties of 3-chloro-N-(1-naphthalen-2-ylethyl)aniline?
3-chloro-N-(1-naphthalen-2-ylethyl)aniline has a molecular weight of 281.79 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-naphthalen-2-ylethyl)aniline is sourced from PubChem (CID 43098367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).