(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone

C20H19NO2 — CID 82263104

IUPAC(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone
SMILESCCCOc1ccc2ccccc2c1C(=O)c1cccc(N)c1
InChIInChI=1S/C20H19NO2/c1-2-12-23-18-11-10-14-6-3-4-9-17(14)19(18)20(22)15-7-5-8-16(21)13-15/h3-11,13H,2,12,21H2,1H3
InChIKeyVJRVLVNZHJAUSG-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.44
Rot. Bonds5

About (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone

(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone (PubChem CID 82263104) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone
PubChem CID82263104
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone
SMILESCCCOc1ccc2ccccc2c1C(=O)c1cccc(N)c1
InChIInChI=1S/C20H19NO2/c1-2-12-23-18-11-10-14-6-3-4-9-17(14)19(18)20(22)15-7-5-8-16(21)13-15/h3-11,13H,2,12,21H2,1H3
InChIKeyVJRVLVNZHJAUSG-UHFFFAOYSA-N
XLogP4.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.44
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

1-(2-propoxynaphthalen-1-yl)butan-1-one
CID 82263091
(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
CID 82263187
(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone
CID 82267577
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
cyclohexyl-(2-propoxynaphthalen-1-yl)methanone
CID 82550350
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
2-bromo-1-(2-butoxynaphthalen-1-yl)ethanone
CID 126570485
(3-aminophenyl)-(4-propylsulfanylphenyl)methanone
CID 82073302
2-[2-(diethylazaniumyl)ethoxy]naphthalene-1-carboxylate
CID 42303258
(3-aminophenyl)-phenylmethanone
CID 17817
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
1-ethyl-2-propoxynaphthalene
CID 129259410

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone (CID 82263104) is (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone is CCCOc1ccc2ccccc2c1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone?
The InChIKey is VJRVLVNZHJAUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-12-23-18-11-10-14-6-3-4-9-17(14)19(18)20(22)15-7-5-8-16(21)13-15/h3-11,13H,2,12,21H2,1H3.
What are the key properties of (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone?
(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 82263104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).