2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol

C23H31NO — CID 140978350

IUPAC2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
SMILESCc1ccc(CC2CCC(O)(c3ccccc3)C(CN(C)C)C2)cc1
InChIInChI=1S/C23H31NO/c1-18-9-11-19(12-10-18)15-20-13-14-23(25,21-7-5-4-6-8-21)22(16-20)17-24(2)3/h4-12,20,22,25H,13-17H2,1-3H3
InChIKeyRLQQGWYZTXYMMP-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.40
Rot. Bonds5

About 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol

2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol (PubChem CID 140978350) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
PubChem CID140978350
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
SMILESCc1ccc(CC2CCC(O)(c3ccccc3)C(CN(C)C)C2)cc1
InChIInChI=1S/C23H31NO/c1-18-9-11-19(12-10-18)15-20-13-14-23(25,21-7-5-4-6-8-21)22(16-20)17-24(2)3/h4-12,20,22,25H,13-17H2,1-3H3
InChIKeyRLQQGWYZTXYMMP-UHFFFAOYSA-N
XLogP4.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 18980478
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10270341
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105689
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105878
2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10292300
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105696
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105737
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 23105823
(3R,4R)-3-[(dimethylamino)methyl]-4-phenylthian-4-ol
CID 827331
4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride
CID 142627369
1-benzyl-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105795
3-[(1R,2S,4S)-2-[(dimethylamino)methyl]-1-hydroxy-4-phenylmethoxycyclohexyl]phenol
CID 124603005

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol (CID 140978350) is 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol is Cc1ccc(CC2CCC(O)(c3ccccc3)C(CN(C)C)C2)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol?
The InChIKey is RLQQGWYZTXYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-18-9-11-19(12-10-18)15-20-13-14-23(25,21-7-5-4-6-8-21)22(16-20)17-24(2)3/h4-12,20,22,25H,13-17H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol?
2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol has a molecular weight of 337.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 140978350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).