(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone

C19H17NO2 — CID 82263187

IUPAC(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(N)c2)c2ccccc12
InChIInChI=1S/C19H17NO2/c1-2-22-18-11-10-17(15-8-3-4-9-16(15)18)19(21)13-6-5-7-14(20)12-13/h3-12H,2,20H2,1H3
InChIKeyYZNGACMPHJDVNC-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.05
Rot. Bonds4

About (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone

(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone (PubChem CID 82263187) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
PubChem CID82263187
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(N)c2)c2ccccc12
InChIInChI=1S/C19H17NO2/c1-2-22-18-11-10-17(15-8-3-4-9-16(15)18)19(21)13-6-5-7-14(20)12-13/h3-12H,2,20H2,1H3
InChIKeyYZNGACMPHJDVNC-UHFFFAOYSA-N
XLogP4.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.05
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

(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82266056
4-ethoxynaphthalene-1-carboxamide;fluoromethane
CID 143061073
(4-ethoxynaphthalene-1-carbonyl) 4-ethoxynaphthalene-1-carboxylate
CID 88736257
(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone
CID 82263104
(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone
CID 82267577
(3-aminophenyl)-phenylmethanone
CID 17817
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone
CID 82267425
(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone
CID 163893903
(4-ethoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 45267043
(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone (CID 82263187) is (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone is CCOc1ccc(C(=O)c2cccc(N)c2)c2ccccc12.
What is the InChIKey of (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone?
The InChIKey is YZNGACMPHJDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-22-18-11-10-17(15-8-3-4-9-16(15)18)19(21)13-6-5-7-14(20)12-13/h3-12H,2,20H2,1H3.
What are the key properties of (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone?
(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 82263187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).