2-methyl-4-naphthalen-1-ylaniline

C17H15N — CID 54912725

IUPAC2-methyl-4-naphthalen-1-ylaniline
SMILESCc1cc(-c2cccc3ccccc23)ccc1N
InChIInChI=1S/C17H15N/c1-12-11-14(9-10-17(12)18)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,18H2,1H3
InChIKeyVINKGFUZHZVORH-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.40
Rot. Bonds1

About 2-methyl-4-naphthalen-1-ylaniline

2-methyl-4-naphthalen-1-ylaniline (PubChem CID 54912725) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-ylaniline.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-ylaniline
PubChem CID54912725
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name2-methyl-4-naphthalen-1-ylaniline
SMILESCc1cc(-c2cccc3ccccc23)ccc1N
InChIInChI=1S/C17H15N/c1-12-11-14(9-10-17(12)18)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,18H2,1H3
InChIKeyVINKGFUZHZVORH-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.40
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-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
2-fluoro-4-naphthalen-1-ylaniline
CID 54912687
2-amino-5-naphthalen-1-ylbenzenethiol
CID 154132377
4-(2-bromophenyl)-2-methylaniline
CID 115503558
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
CID 156896552
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
2-naphthalen-1-ylanthracene
CID 2748705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-ylaniline?
The IUPAC name of 2-methyl-4-naphthalen-1-ylaniline (CID 54912725) is 2-methyl-4-naphthalen-1-ylaniline.
What is the SMILES notation for 2-methyl-4-naphthalen-1-ylaniline?
The canonical SMILES for 2-methyl-4-naphthalen-1-ylaniline is Cc1cc(-c2cccc3ccccc23)ccc1N.
What is the InChIKey of 2-methyl-4-naphthalen-1-ylaniline?
The InChIKey is VINKGFUZHZVORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-11-14(9-10-17(12)18)16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,18H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-1-ylaniline?
2-methyl-4-naphthalen-1-ylaniline has a molecular weight of 233.31 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-ylaniline is sourced from PubChem (CID 54912725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).