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

C18H17N — CID 28524236

IUPAC2-methyl-N-(naphthalen-1-ylmethyl)aniline
SMILESCc1ccccc1NCc1cccc2ccccc12
InChIInChI=1S/C18H17N/c1-14-7-2-5-12-18(14)19-13-16-10-6-9-15-8-3-4-11-17(15)16/h2-12,19H,13H2,1H3
InChIKeyYXBRLEPKHPHNJX-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.76
Rot. Bonds3

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

2-methyl-N-(naphthalen-1-ylmethyl)aniline (PubChem CID 28524236) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-N-(naphthalen-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(naphthalen-1-ylmethyl)aniline
PubChem CID28524236
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-methyl-N-(naphthalen-1-ylmethyl)aniline
SMILESCc1ccccc1NCc1cccc2ccccc12
InChIInChI=1S/C18H17N/c1-14-7-2-5-12-18(14)19-13-16-10-6-9-15-8-3-4-11-17(15)16/h2-12,19H,13H2,1H3
InChIKeyYXBRLEPKHPHNJX-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484
3-fluoro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 63453833
2-[(2-methylanilino)methyl]phenol
CID 3240149
3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
CID 39425332
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
2-ethoxy-N-(naphthalen-1-ylmethyl)pyridin-3-amine
CID 43706191
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
2-methyl-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 62954281
6-methyl-N-(naphthalen-1-ylmethyl)pyridin-1-ium-2-amine
CID 7123233

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The IUPAC name of 2-methyl-N-(naphthalen-1-ylmethyl)aniline (CID 28524236) is 2-methyl-N-(naphthalen-1-ylmethyl)aniline.
What is the SMILES notation for 2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The canonical SMILES for 2-methyl-N-(naphthalen-1-ylmethyl)aniline is Cc1ccccc1NCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-(naphthalen-1-ylmethyl)aniline?
The InChIKey is YXBRLEPKHPHNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-14-7-2-5-12-18(14)19-13-16-10-6-9-15-8-3-4-11-17(15)16/h2-12,19H,13H2,1H3.
What are the key properties of 2-methyl-N-(naphthalen-1-ylmethyl)aniline?
2-methyl-N-(naphthalen-1-ylmethyl)aniline has a molecular weight of 247.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(naphthalen-1-ylmethyl)aniline is sourced from PubChem (CID 28524236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).