3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol

C18H29NO2 — CID 63933298

IUPAC3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccccc2OC(C)C)C1
InChIInChI=1S/C18H29NO2/c1-14(2)21-17-9-5-4-8-16(17)12-19-13-18(20)10-6-7-15(3)11-18/h4-5,8-9,14-15,19-20H,6-7,10-13H2,1-3H3
InChIKeyCKFSULNLPIHAKD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.50
Rot. Bonds6

About 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol

3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 63933298) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID63933298
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccccc2OC(C)C)C1
InChIInChI=1S/C18H29NO2/c1-14(2)21-17-9-5-4-8-16(17)12-19-13-18(20)10-6-7-15(3)11-18/h4-5,8-9,14-15,19-20H,6-7,10-13H2,1-3H3
InChIKeyCKFSULNLPIHAKD-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103991718
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750185
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
N-[(1-hydroxycyclopentyl)methyl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 111331235
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
3-methyl-N-[(2-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43432544
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 63933298) is 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol is CC1CCCC(O)(CNCc2ccccc2OC(C)C)C1.
What is the InChIKey of 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is CKFSULNLPIHAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)21-17-9-5-4-8-16(17)12-19-13-18(20)10-6-7-15(3)11-18/h4-5,8-9,14-15,19-20H,6-7,10-13H2,1-3H3.
What are the key properties of 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63933298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).