(2-aminocyclohexyl)-(4-propoxyphenyl)methanone

C16H23NO2 — CID 116579889

IUPAC(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCCC2N)cc1
InChIInChI=1S/C16H23NO2/c1-2-11-19-13-9-7-12(8-10-13)16(18)14-5-3-4-6-15(14)17/h7-10,14-15H,2-6,11,17H2,1H3
InChIKeyLCWTVSITIOWMJR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.18
Rot. Bonds5

About (2-aminocyclohexyl)-(4-propoxyphenyl)methanone

(2-aminocyclohexyl)-(4-propoxyphenyl)methanone (PubChem CID 116579889) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
PubChem CID116579889
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCCC2N)cc1
InChIInChI=1S/C16H23NO2/c1-2-11-19-13-9-7-12(8-10-13)16(18)14-5-3-4-6-15(14)17/h7-10,14-15H,2-6,11,17H2,1H3
InChIKeyLCWTVSITIOWMJR-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
CID 116592105
(2,2-dimethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 107186902
(1,1-dioxothian-2-yl)-(4-propoxyphenyl)methanone
CID 114971121
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
N-cyclohexyl-4-propoxybenzamide
CID 4938429
2-amino-N-(3-propoxyphenyl)cyclohexane-1-carboxamide
CID 64822364
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(4-propoxyphenyl)methanone (CID 116579889) is (2-aminocyclohexyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CCCCC2N)cc1.
What is the InChIKey of (2-aminocyclohexyl)-(4-propoxyphenyl)methanone?
The InChIKey is LCWTVSITIOWMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-11-19-13-9-7-12(8-10-13)16(18)14-5-3-4-6-15(14)17/h7-10,14-15H,2-6,11,17H2,1H3.
What are the key properties of (2-aminocyclohexyl)-(4-propoxyphenyl)methanone?
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116579889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).