(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone

C16H23NO2 — CID 116579945

IUPAC(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCCC2N)c1
InChIInChI=1S/C16H23NO2/c1-11(2)19-13-7-5-6-12(10-13)16(18)14-8-3-4-9-15(14)17/h5-7,10-11,14-15H,3-4,8-9,17H2,1-2H3
InChIKeySGPUXKRKZZKTNY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.17
Rot. Bonds4

About (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone

(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 116579945) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID116579945
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2CCCCC2N)c1
InChIInChI=1S/C16H23NO2/c1-11(2)19-13-7-5-6-12(10-13)16(18)14-8-3-4-9-15(14)17/h5-7,10-11,14-15H,3-4,8-9,17H2,1-2H3
InChIKeySGPUXKRKZZKTNY-UHFFFAOYSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116579967
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
(2-aminocyclopentyl)-(3-bromophenyl)methanone
CID 164657811
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide
CID 62920503
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62921355
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587830
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone (CID 116579945) is (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)C2CCCCC2N)c1.
What is the InChIKey of (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is SGPUXKRKZZKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)19-13-7-5-6-12(10-13)16(18)14-8-3-4-9-15(14)17/h5-7,10-11,14-15H,3-4,8-9,17H2,1-2H3.
What are the key properties of (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116579945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).