[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol

C19H31NO — CID 103699215

IUPAC[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
SMILESCCC(C)(C)C1CCC(NCc2cccc(CO)c2)CC1
InChIInChI=1S/C19H31NO/c1-4-19(2,3)17-8-10-18(11-9-17)20-13-15-6-5-7-16(12-15)14-21/h5-7,12,17-18,20-21H,4,8-11,13-14H2,1-3H3
InChIKeyUOHHGCVTHXYRNB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.26
Rot. Bonds6

About [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol

[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol (PubChem CID 103699215) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
PubChem CID103699215
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol
SMILESCCC(C)(C)C1CCC(NCc2cccc(CO)c2)CC1
InChIInChI=1S/C19H31NO/c1-4-19(2,3)17-8-10-18(11-9-17)20-13-15-6-5-7-16(12-15)14-21/h5-7,12,17-18,20-21H,4,8-11,13-14H2,1-3H3
InChIKeyUOHHGCVTHXYRNB-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol with MolForge

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Related Compounds

4-(2-methylbutan-2-yl)-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 28553389
[3-[[(4-tert-butylcycloheptyl)amino]methyl]phenyl]methanol
CID 107229780
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
4-(2-methylbutan-2-yl)-N-(1H-pyrrol-2-ylmethyl)cyclohexan-1-amine
CID 60664775
[3-[[(2-ethyloxan-4-yl)amino]methyl]phenyl]methanol
CID 107229792
[3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]methanol
CID 102609613
[3-[[(3-aminocyclobutyl)amino]methyl]phenyl]methanol
CID 107229702
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629

Frequently Asked Questions

What is the IUPAC name of [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol (CID 103699215) is [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol is CCC(C)(C)C1CCC(NCc2cccc(CO)c2)CC1.
What is the InChIKey of [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol?
The InChIKey is UOHHGCVTHXYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-19(2,3)17-8-10-18(11-9-17)20-13-15-6-5-7-16(12-15)14-21/h5-7,12,17-18,20-21H,4,8-11,13-14H2,1-3H3.
What are the key properties of [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol?
[3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol has a molecular weight of 289.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 103699215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).