(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone

C19H17NO2 — CID 91678600

IUPAC(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1N
InChIInChI=1S/C19H17NO2/c1-12-7-8-13-5-3-4-6-15(13)18(12)19(21)14-9-10-17(22-2)16(20)11-14/h3-11H,20H2,1-2H3
InChIKeyMHIZGBQTUOBMJG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.97
Rot. Bonds3

About (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone

(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 91678600) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID91678600
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1N
InChIInChI=1S/C19H17NO2/c1-12-7-8-13-5-3-4-6-15(13)18(12)19(21)14-9-10-17(22-2)16(20)11-14/h3-11H,20H2,1-2H3
InChIKeyMHIZGBQTUOBMJG-UHFFFAOYSA-N
XLogP3.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
(4-methoxy-3-phenylbenzoyl) 2-methylnaphthalene-1-carboxylate
CID 19830306
[4-[2,5-dimethyl-3,4-bis(2-methylnaphthalene-1-carbonyl)phenoxy]-3,6-dimethyl-2-(2-methylnaphthalene-1-carbonyl)phenyl]-(2-methylnaphthalen-1-yl)methanone
CID 141279941
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
(2-amino-6-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430902
(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 115937369
(3-amino-4-pyridinyl)-(2-methoxynaphthalen-1-yl)methanone
CID 53414360
(3-amino-4-methoxyphenyl)-(4-tert-butylphenyl)methanone
CID 39383239
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone (CID 91678600) is (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone is COc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is MHIZGBQTUOBMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-12-7-8-13-5-3-4-6-15(13)18(12)19(21)14-9-10-17(22-2)16(20)11-14/h3-11H,20H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone?
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 91678600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).