(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone

C17H19NO2 — CID 116550966

IUPAC(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H19NO2/c1-3-10-20-15-8-6-13(7-9-15)17(19)14-5-4-12(2)16(18)11-14/h4-9,11H,3,10,18H2,1-2H3
InChIKeyCPQRKVBLVSBGDC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.60
Rot. Bonds5

About (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone

(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone (PubChem CID 116550966) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
PubChem CID116550966
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(C)c(N)c2)cc1
InChIInChI=1S/C17H19NO2/c1-3-10-20-15-8-6-13(7-9-15)17(19)14-5-4-12(2)16(18)11-14/h4-9,11H,3,10,18H2,1-2H3
InChIKeyCPQRKVBLVSBGDC-UHFFFAOYSA-N
XLogP3.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.60
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

(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(4-butoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 107561455
(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone
CID 82266633
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(3-chloro-4-methylphenyl)-(4-octoxyphenyl)methanone
CID 20667937
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
2-(3,4-dimethylphenyl)-1-(4-propoxyphenyl)ethanone
CID 63410446
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
ethyl 3-oxo-3-(4-propoxyphenyl)propanoate
CID 10682113
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone (CID 116550966) is (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(C)c(N)c2)cc1.
What is the InChIKey of (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone?
The InChIKey is CPQRKVBLVSBGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-10-20-15-8-6-13(7-9-15)17(19)14-5-4-12(2)16(18)11-14/h4-9,11H,3,10,18H2,1-2H3.
What are the key properties of (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone?
(3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone has a molecular weight of 269.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116550966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).