(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone

C19H17NO — CID 116560466

IUPAC(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc3ccccc3cc2N)cc1
InChIInChI=1S/C19H17NO/c1-2-13-7-9-14(10-8-13)19(21)17-11-15-5-3-4-6-16(15)12-18(17)20/h3-12H,2,20H2,1H3
InChIKeyIJKHKWXDHQOJQU-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.22
Rot. Bonds3

About (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone

(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone (PubChem CID 116560466) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
PubChem CID116560466
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc3ccccc3cc2N)cc1
InChIInChI=1S/C19H17NO/c1-2-13-7-9-14(10-8-13)19(21)17-11-15-5-3-4-6-16(15)12-18(17)20/h3-12H,2,20H2,1H3
InChIKeyIJKHKWXDHQOJQU-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 107129703
(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
1-(3-aminonaphthalen-2-yl)-2-phenylethanone
CID 116560313
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
CID 79593276
2-butoxyethyl 3-aminonaphthalene-2-carboxylate
CID 61302466
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
(5-ethylfuran-2-yl)-naphthalen-2-ylmethanone
CID 62344776

Frequently Asked Questions

What is the IUPAC name of (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone (CID 116560466) is (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cc3ccccc3cc2N)cc1.
What is the InChIKey of (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone?
The InChIKey is IJKHKWXDHQOJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-13-7-9-14(10-8-13)19(21)17-11-15-5-3-4-6-16(15)12-18(17)20/h3-12H,2,20H2,1H3.
What are the key properties of (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone?
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 116560466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).