3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline

C18H16ClN — CID 28543484

IUPAC3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
SMILESCc1c(Cl)cccc1NCc1cccc2ccccc12
InChIInChI=1S/C18H16ClN/c1-13-17(19)10-5-11-18(13)20-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,20H,12H2,1H3
InChIKeyHSNOLWPKUFUKGM-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.41
Rot. Bonds3

About 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline

3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 28543484) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
PubChem CID28543484
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
SMILESCc1c(Cl)cccc1NCc1cccc2ccccc12
InChIInChI=1S/C18H16ClN/c1-13-17(19)10-5-11-18(13)20-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,20H,12H2,1H3
InChIKeyHSNOLWPKUFUKGM-UHFFFAOYSA-N
XLogP5.41
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 ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 63453833
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
3-chloro-N-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-methylaniline
CID 126117260
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
1-(3-chloro-2-methylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
CID 2207015
3-chloro-N-[[3,5-dichloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126119400
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160
N-[[2-[(4-bromophenyl)methoxy]phenyl]methyl]-3-chloro-2-methylaniline
CID 126127109
3-chloro-N-[(2-fluoro-3-nitrophenyl)methyl]-2-methylaniline
CID 107348828
4-bromo-2-[(3-chloro-2-methylanilino)methyl]phenol
CID 107737625

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline (CID 28543484) is 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline is Cc1c(Cl)cccc1NCc1cccc2ccccc12.
What is the InChIKey of 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is HSNOLWPKUFUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-13-17(19)10-5-11-18(13)20-12-15-8-4-7-14-6-2-3-9-16(14)15/h2-11,20H,12H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline?
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 281.79 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 28543484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).