2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol

C24H33NO3 — CID 23105820

IUPAC2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol
SMILESCOc1cccc(CC2(O)CCC(OCc3ccccc3)CC2CN(C)C)c1
InChIInChI=1S/C24H33NO3/c1-25(2)17-21-15-23(28-18-19-8-5-4-6-9-19)12-13-24(21,26)16-20-10-7-11-22(14-20)27-3/h4-11,14,21,23,26H,12-13,15-18H2,1-3H3
InChIKeyDMMDQOPPMRYIRG-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.92
Rot. Bonds8

About 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol

2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol (PubChem CID 23105820) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol
PubChem CID23105820
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol
SMILESCOc1cccc(CC2(O)CCC(OCc3ccccc3)CC2CN(C)C)c1
InChIInChI=1S/C24H33NO3/c1-25(2)17-21-15-23(28-18-19-8-5-4-6-9-19)12-13-24(21,26)16-20-10-7-11-22(14-20)27-3/h4-11,14,21,23,26H,12-13,15-18H2,1-3H3
InChIKeyDMMDQOPPMRYIRG-UHFFFAOYSA-N
XLogP3.92
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol (CID 23105820) is 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol is COc1cccc(CC2(O)CCC(OCc3ccccc3)CC2CN(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol?
The InChIKey is DMMDQOPPMRYIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-25(2)17-21-15-23(28-18-19-8-5-4-6-9-19)12-13-24(21,26)16-20-10-7-11-22(14-20)27-3/h4-11,14,21,23,26H,12-13,15-18H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol has a molecular weight of 383.53 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-[(3-methoxyphenyl)methyl]-4-phenylmethoxycyclohexan-1-ol is sourced from PubChem (CID 23105820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).