[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate

C24H31NO2 — CID 24837144

IUPAC[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate
SMILESCN(C)CC1CCCCC1(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-24(17-11-10-16-21(24)18-25(2)3)27-23(26)22(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22H,10-11,16-18H2,1-3H3
InChIKeyVFDQIKUIPJBJQA-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.87
Rot. Bonds6

About [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate

[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate (PubChem CID 24837144) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate
PubChem CID24837144
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate
SMILESCN(C)CC1CCCCC1(C)OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-24(17-11-10-16-21(24)18-25(2)3)27-23(26)22(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22H,10-11,16-18H2,1-3H3
InChIKeyVFDQIKUIPJBJQA-UHFFFAOYSA-N
XLogP4.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(dimethylamino)methyl]-1-propylcyclohexyl] (Z)-3-phenylprop-2-enoate
CID 24837148
[(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate
CID 1418153
[2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride
CID 24837151
1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
CID 23497852
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 18974540
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 18974539
2-[(dimethylamino)methyl]-1-pyridin-2-ylcyclohexan-1-ol
CID 5101432
(1,2-dimethylcyclohexyl) benzoate
CID 67593313
3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 102632745
2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719
2-(dimethylamino)ethyl (2R)-2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
CID 46224605

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate?
The IUPAC name of [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate (CID 24837144) is [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate?
The canonical SMILES for [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate is CN(C)CC1CCCCC1(C)OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate?
The InChIKey is VFDQIKUIPJBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-24(17-11-10-16-21(24)18-25(2)3)27-23(26)22(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22H,10-11,16-18H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate?
[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate has a molecular weight of 365.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate is sourced from PubChem (CID 24837144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).