1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone

C19H17NO — CID 116581294

IUPAC1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
SMILESCc1ccc(N)c(C(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H17NO/c1-13-9-10-18(20)17(11-13)19(21)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12,20H2,1H3
InChIKeyMPRFMWPGIQQHGJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.16
Rot. Bonds3

About 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone

1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone (PubChem CID 116581294) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
PubChem CID116581294
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
SMILESCc1ccc(N)c(C(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H17NO/c1-13-9-10-18(20)17(11-13)19(21)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12,20H2,1H3
InChIKeyMPRFMWPGIQQHGJ-UHFFFAOYSA-N
XLogP4.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 155671739
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
1-(3,6-dimethylpyridazin-4-yl)-2-naphthalen-1-ylethanone
CID 105087972
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
naphthalen-1-ylmethyl 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7221754
1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 81316894
1-(2-bromo-4-fluorophenyl)-2-naphthalen-1-ylethanone
CID 63528898
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone (CID 116581294) is 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone is Cc1ccc(N)c(C(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone?
The InChIKey is MPRFMWPGIQQHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-13-9-10-18(20)17(11-13)19(21)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12,20H2,1H3.
What are the key properties of 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone?
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone has a molecular weight of 275.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 116581294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).