4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol

C17H27NO — CID 116957010

IUPAC4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
SMILESCNC(c1c(C)cc(C)cc1C)C1CCC(O)CC1
InChIInChI=1S/C17H27NO/c1-11-9-12(2)16(13(3)10-11)17(18-4)14-5-7-15(19)8-6-14/h9-10,14-15,17-19H,5-8H2,1-4H3
InChIKeyHTCQCJANHXHCDY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.42
Rot. Bonds3

About 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol

4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol (PubChem CID 116957010) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
PubChem CID116957010
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
SMILESCNC(c1c(C)cc(C)cc1C)C1CCC(O)CC1
InChIInChI=1S/C17H27NO/c1-11-9-12(2)16(13(3)10-11)17(18-4)14-5-7-15(19)8-6-14/h9-10,14-15,17-19H,5-8H2,1-4H3
InChIKeyHTCQCJANHXHCDY-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484275
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957012
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,6-trimethylphenyl)methanamine
CID 66478016
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
1-(1,1-dioxothian-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 104518499
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
4-[1,3-benzodioxol-5-yl(methylamino)methyl]cyclohexan-1-ol
CID 116957005
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210

Frequently Asked Questions

What is the IUPAC name of 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol (CID 116957010) is 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol is CNC(c1c(C)cc(C)cc1C)C1CCC(O)CC1.
What is the InChIKey of 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is HTCQCJANHXHCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-9-12(2)16(13(3)10-11)17(18-4)14-5-7-15(19)8-6-14/h9-10,14-15,17-19H,5-8H2,1-4H3.
What are the key properties of 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol?
4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116957010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).