2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one

C19H29NO — CID 63566462

IUPAC2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
SMILESCCC1CCC(N(C)C(CC)C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-4-15-11-13-17(14-12-15)20(3)18(5-2)19(21)16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3
InChIKeyZYELKWTZOPUTSW-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.55
Rot. Bonds6

About 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one

2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one (PubChem CID 63566462) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
PubChem CID63566462
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one
SMILESCCC1CCC(N(C)C(CC)C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H29NO/c1-4-15-11-13-17(14-12-15)20(3)18(5-2)19(21)16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3
InChIKeyZYELKWTZOPUTSW-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(piperidin-4-yl)amino]-1-phenylbutan-1-one
CID 62031886
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
3-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]prop-2-enoic acid
CID 77000107
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 76915568
N-(4-ethylcyclohexyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62413207
ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662034
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one?
The IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one (CID 63566462) is 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one?
The canonical SMILES for 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one is CCC1CCC(N(C)C(CC)C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one?
The InChIKey is ZYELKWTZOPUTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-15-11-13-17(14-12-15)20(3)18(5-2)19(21)16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3.
What are the key properties of 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one?
2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)-methylamino]-1-phenylbutan-1-one is sourced from PubChem (CID 63566462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).