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

C16H25NO2 — CID 116911216

IUPAC4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccccc1C(C1CCC(O)CC1)N(C)C
InChIInChI=1S/C16H25NO2/c1-17(2)16(12-8-10-13(18)11-9-12)14-6-4-5-7-15(14)19-3/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyQPKFUTWJJWSVEZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds4

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

4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 116911216) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID116911216
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1ccccc1C(C1CCC(O)CC1)N(C)C
InChIInChI=1S/C16H25NO2/c1-17(2)16(12-8-10-13(18)11-9-12)14-6-4-5-7-15(14)19-3/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyQPKFUTWJJWSVEZ-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521
4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116907240
1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 49472541
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1,5-dicyclopropyl-1,5-bis(2-methoxyphenyl)pentan-3-one
CID 73011725
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
1-(2-methoxyphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904570
4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938818

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol (CID 116911216) is 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol is COc1ccccc1C(C1CCC(O)CC1)N(C)C.
What is the InChIKey of 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is QPKFUTWJJWSVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(2)16(12-8-10-13(18)11-9-12)14-6-4-5-7-15(14)19-3/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol?
4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino-(2-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116911216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).