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

C18H29NO — CID 63934761

IUPAC3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C)c(CNCC2(O)CCCC(C)C2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-6-5-7-18(20,10-13)12-19-11-17-15(3)8-14(2)9-16(17)4/h8-9,13,19-20H,5-7,10-12H2,1-4H3
InChIKeyRXJNLHKHYGNZAX-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.64
Rot. Bonds4

About 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol

3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 63934761) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID63934761
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cc(C)c(CNCC2(O)CCCC(C)C2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-6-5-7-18(20,10-13)12-19-11-17-15(3)8-14(2)9-16(17)4/h8-9,13,19-20H,5-7,10-12H2,1-4H3
InChIKeyRXJNLHKHYGNZAX-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 64514526
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
4-[[(2,4,6-trimethylphenyl)methylamino]methyl]oxan-4-ol
CID 78928966
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
2,4-dichloro-6-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]phenol
CID 63934128
3-methyl-1-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 107911680
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 63934761) is 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol is Cc1cc(C)c(CNCC2(O)CCCC(C)C2)c(C)c1.
What is the InChIKey of 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is RXJNLHKHYGNZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-6-5-7-18(20,10-13)12-19-11-17-15(3)8-14(2)9-16(17)4/h8-9,13,19-20H,5-7,10-12H2,1-4H3.
What are the key properties of 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63934761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).