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

C16H25NO — CID 114147038

IUPAC4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cccc(CNCC2CCC(O)CC2)c1C
InChIInChI=1S/C16H25NO/c1-12-4-3-5-15(13(12)2)11-17-10-14-6-8-16(18)9-7-14/h3-5,14,16-18H,6-11H2,1-2H3
InChIKeyADWOTEXYEDSIPX-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.94
Rot. Bonds4

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

4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 114147038) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID114147038
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1cccc(CNCC2CCC(O)CC2)c1C
InChIInChI=1S/C16H25NO/c1-12-4-3-5-15(13(12)2)11-17-10-14-6-8-16(18)9-7-14/h3-5,14,16-18H,6-11H2,1-2H3
InChIKeyADWOTEXYEDSIPX-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
1-(cyclopropylmethyl)-2,3-dimethylbenzene
CID 20690233
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106124800
4-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclohexan-1-ol
CID 106133296
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
4-[[(2-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5019663
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 114147038) is 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is Cc1cccc(CNCC2CCC(O)CC2)c1C.
What is the InChIKey of 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ADWOTEXYEDSIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-4-3-5-15(13(12)2)11-17-10-14-6-8-16(18)9-7-14/h3-5,14,16-18H,6-11H2,1-2H3.
What are the key properties of 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114147038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).