3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol

C19H31NO — CID 107876213

IUPAC3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C19H31NO/c1-15(2)18(17-9-5-4-6-10-17)13-20-14-19(21)11-7-8-16(3)12-19/h4-6,9-10,15-16,18,20-21H,7-8,11-14H2,1-3H3
InChIKeyBVTKZVDZNHNELX-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.96
Rot. Bonds6

About 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol

3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol (PubChem CID 107876213) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
PubChem CID107876213
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C19H31NO/c1-15(2)18(17-9-5-4-6-10-17)13-20-14-19(21)11-7-8-16(3)12-19/h4-6,9-10,15-16,18,20-21H,7-8,11-14H2,1-3H3
InChIKeyBVTKZVDZNHNELX-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-methyl-2-phenylbutyl)amino]methyl]cycloheptan-1-ol
CID 107876214
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65120971
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 65120712
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
1-[(2,2-dimethoxyethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65117297
1-[[(3-methoxy-2-methylpropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 116501341
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 65120934
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116779
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
1-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 103157916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol (CID 107876213) is 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNCC(c2ccccc2)C(C)C)C1.
What is the InChIKey of 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is BVTKZVDZNHNELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)18(17-9-5-4-6-10-17)13-20-14-19(21)11-7-8-16(3)12-19/h4-6,9-10,15-16,18,20-21H,7-8,11-14H2,1-3H3.
What are the key properties of 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 107876213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).