[2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride

C20H32ClNO2 — CID 24837151

IUPAC[2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride
SMILESCCCC1(OC(=O)Cc2ccccc2)CCCCC1CN(C)C.Cl
InChIInChI=1S/C20H31NO2.ClH/c1-4-13-20(14-9-8-12-18(20)16-21(2)3)23-19(22)15-17-10-6-5-7-11-17;/h5-7,10-11,18H,4,8-9,12-16H2,1-3H3;1H
InChIKeyJWWHDDKVYNOAJR-UHFFFAOYSA-N
MW353.93 g/mol
LogP4.48
Rot. Bonds7

About [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride

[2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride (PubChem CID 24837151) has the molecular formula C20H32ClNO2 and a molecular weight of 353.93 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride
PubChem CID24837151
Molecular FormulaC20H32ClNO2
Molecular Weight353.93 g/mol
Exact Mass353.21
IUPAC Name[2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride
SMILESCCCC1(OC(=O)Cc2ccccc2)CCCCC1CN(C)C.Cl
InChIInChI=1S/C20H31NO2.ClH/c1-4-13-20(14-9-8-12-18(20)16-21(2)3)23-19(22)15-17-10-6-5-7-11-17;/h5-7,10-11,18H,4,8-9,12-16H2,1-3H3;1H
InChIKeyJWWHDDKVYNOAJR-UHFFFAOYSA-N
XLogP4.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.93
LogP ≤ 54.48
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
[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate
CID 24837144
2-[(dimethylamino)methyl]-1-pyridin-2-ylcyclohexan-1-ol
CID 5101432
1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
CID 23497852
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
2-[(dimethylamino)methyl]-1-(2-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 18974539
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
[(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexyl] decanoate
CID 68612471
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
[(3R)-4-benzoyloxy-1-benzylsulfonyl-3-[(dimethylamino)methyl]piperidin-4-yl] benzoate
CID 175983748

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride?
The IUPAC name of [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride (CID 24837151) is [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride.
What is the SMILES notation for [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride?
The canonical SMILES for [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride is CCCC1(OC(=O)Cc2ccccc2)CCCCC1CN(C)C.Cl.
What is the InChIKey of [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride?
The InChIKey is JWWHDDKVYNOAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2.ClH/c1-4-13-20(14-9-8-12-18(20)16-21(2)3)23-19(22)15-17-10-6-5-7-11-17;/h5-7,10-11,18H,4,8-9,12-16H2,1-3H3;1H.
What are the key properties of [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride?
[2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride has a molecular weight of 353.93 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-1-propylcyclohexyl] 2-phenylacetate;hydrochloride is sourced from PubChem (CID 24837151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).