5-methyl-2-(2-methylnaphthalen-1-yl)aniline

C18H17N — CID 82767076

IUPAC5-methyl-2-(2-methylnaphthalen-1-yl)aniline
SMILESCc1ccc(-c2c(C)ccc3ccccc23)c(N)c1
InChIInChI=1S/C18H17N/c1-12-7-10-16(17(19)11-12)18-13(2)8-9-14-5-3-4-6-15(14)18/h3-11H,19H2,1-2H3
InChIKeyTWOBQASZWCNIMM-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.71
Rot. Bonds1

About 5-methyl-2-(2-methylnaphthalen-1-yl)aniline

5-methyl-2-(2-methylnaphthalen-1-yl)aniline (PubChem CID 82767076) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-methyl-2-(2-methylnaphthalen-1-yl)aniline.

Molecular Properties

Compound Name5-methyl-2-(2-methylnaphthalen-1-yl)aniline
PubChem CID82767076
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name5-methyl-2-(2-methylnaphthalen-1-yl)aniline
SMILESCc1ccc(-c2c(C)ccc3ccccc23)c(N)c1
InChIInChI=1S/C18H17N/c1-12-7-10-16(17(19)11-12)18-13(2)8-9-14-5-3-4-6-15(14)18/h3-11H,19H2,1-2H3
InChIKeyTWOBQASZWCNIMM-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminonaphthalen-1-yl)-7-methylnaphthalen-2-amine
CID 11266515
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
1-(3-methylphenyl)naphthalen-2-amine
CID 141043466
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
1-(2-amino-7-methylnaphthalen-1-yl)naphthalen-2-ol
CID 162122233
2-(4-chloronaphthalen-1-yl)-5-methylaniline
CID 82766855
[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine
CID 81431357

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylnaphthalen-1-yl)aniline?
The IUPAC name of 5-methyl-2-(2-methylnaphthalen-1-yl)aniline (CID 82767076) is 5-methyl-2-(2-methylnaphthalen-1-yl)aniline.
What is the SMILES notation for 5-methyl-2-(2-methylnaphthalen-1-yl)aniline?
The canonical SMILES for 5-methyl-2-(2-methylnaphthalen-1-yl)aniline is Cc1ccc(-c2c(C)ccc3ccccc23)c(N)c1.
What is the InChIKey of 5-methyl-2-(2-methylnaphthalen-1-yl)aniline?
The InChIKey is TWOBQASZWCNIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-12-7-10-16(17(19)11-12)18-13(2)8-9-14-5-3-4-6-15(14)18/h3-11H,19H2,1-2H3.
What are the key properties of 5-methyl-2-(2-methylnaphthalen-1-yl)aniline?
5-methyl-2-(2-methylnaphthalen-1-yl)aniline has a molecular weight of 247.34 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylnaphthalen-1-yl)aniline is sourced from PubChem (CID 82767076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).