1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol

C15H23NO — CID 62332412

IUPAC1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
SMILESCc1cccc(C)c1NCC1(O)CCCCC1
InChIInChI=1S/C15H23NO/c1-12-7-6-8-13(2)14(12)16-11-15(17)9-4-3-5-10-15/h6-8,16-17H,3-5,9-11H2,1-2H3
InChIKeyRULYLWCOVMQQSV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.41
Rot. Bonds3

About 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol

1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol (PubChem CID 62332412) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
PubChem CID62332412
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
SMILESCc1cccc(C)c1NCC1(O)CCCCC1
InChIInChI=1S/C15H23NO/c1-12-7-6-8-13(2)14(12)16-11-15(17)9-4-3-5-10-15/h6-8,16-17H,3-5,9-11H2,1-2H3
InChIKeyRULYLWCOVMQQSV-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-methylbenzonitrile
CID 107111140
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol
CID 65103220
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
1-[(3-butylanilino)methyl]cyclohexan-1-ol
CID 90045580
1-[[(3-methyl-4-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65122535
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
4-[(2-fluoro-6-methylanilino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499820

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol (CID 62332412) is 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol is Cc1cccc(C)c1NCC1(O)CCCCC1.
What is the InChIKey of 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol?
The InChIKey is RULYLWCOVMQQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-6-8-13(2)14(12)16-11-15(17)9-4-3-5-10-15/h6-8,16-17H,3-5,9-11H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol?
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62332412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).