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

C16H23NO2 — CID 116550565

IUPAC(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12(2)19-14-8-6-7-13(11-14)15(18)16(17)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10,17H2,1-2H3
InChIKeyJHMWIROSEXECQN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds4

About (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone

(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 116550565) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID116550565
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12(2)19-14-8-6-7-13(11-14)15(18)16(17)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10,17H2,1-2H3
InChIKeyJHMWIROSEXECQN-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
CID 116576589
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115364317
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone (CID 116550565) is (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)C2(N)CCCCC2)c1.
What is the InChIKey of (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is JHMWIROSEXECQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)19-14-8-6-7-13(11-14)15(18)16(17)9-4-3-5-10-16/h6-8,11-12H,3-5,9-10,17H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone?
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 261.37 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-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116550565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).