2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol

C24H33NO2 — CID 10270342

IUPAC2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol
SMILESCCc1ccc(C2(O)CCC(OCc3ccccc3)CC2CN(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-4-19-10-12-21(13-11-19)24(26)15-14-23(16-22(24)17-25(2)3)27-18-20-8-6-5-7-9-20/h5-13,22-23,26H,4,14-18H2,1-3H3
InChIKeyKVASVCXPAZABLP-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.38
Rot. Bonds7

About 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol

2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol (PubChem CID 10270342) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol
PubChem CID10270342
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol
SMILESCCc1ccc(C2(O)CCC(OCc3ccccc3)CC2CN(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-4-19-10-12-21(13-11-19)24(26)15-14-23(16-22(24)17-25(2)3)27-18-20-8-6-5-7-9-20/h5-13,22-23,26H,4,14-18H2,1-3H3
InChIKeyKVASVCXPAZABLP-UHFFFAOYSA-N
XLogP4.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol (CID 10270342) is 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol is CCc1ccc(C2(O)CCC(OCc3ccccc3)CC2CN(C)C)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol?
The InChIKey is KVASVCXPAZABLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-4-19-10-12-21(13-11-19)24(26)15-14-23(16-22(24)17-25(2)3)27-18-20-8-6-5-7-9-20/h5-13,22-23,26H,4,14-18H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-(4-ethylphenyl)-4-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 10270342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).