(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone

C17H23NO2 — CID 114523783

IUPAC(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
SMILESCC1CCCC(N)(C(=O)c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C17H23NO2/c1-12-4-3-9-17(18,11-12)16(19)13-5-2-6-15(10-13)20-14-7-8-14/h2,5-6,10,12,14H,3-4,7-9,11,18H2,1H3
InChIKeyDBIXVUZBVQBZJS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.32
Rot. Bonds4

About (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone

(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone (PubChem CID 114523783) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
PubChem CID114523783
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone
SMILESCC1CCCC(N)(C(=O)c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C17H23NO2/c1-12-4-3-9-17(18,11-12)16(19)13-5-2-6-15(10-13)20-14-7-8-14/h2,5-6,10,12,14H,3-4,7-9,11,18H2,1H3
InChIKeyDBIXVUZBVQBZJS-UHFFFAOYSA-N
XLogP3.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
CID 116579350
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
1-amino-N-(3-methoxyphenyl)-N,3-dimethylcyclohexane-1-carboxamide
CID 64553181
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
(3-cyclopropyloxyphenyl)-(1-ethoxycyclohexyl)methanone
CID 114521280
3-cyclopentyloxybenzamide
CID 71932153
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone (CID 114523783) is (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone is CC1CCCC(N)(C(=O)c2cccc(OC3CC3)c2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone?
The InChIKey is DBIXVUZBVQBZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-4-3-9-17(18,11-12)16(19)13-5-2-6-15(10-13)20-14-7-8-14/h2,5-6,10,12,14H,3-4,7-9,11,18H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone?
(1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-(3-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114523783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).