[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol

C16H25NO — CID 83961364

IUPAC[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol
SMILESCc1ccc(NCC2CCCCC2CO)cc1C
InChIInChI=1S/C16H25NO/c1-12-7-8-16(9-13(12)2)17-10-14-5-3-4-6-15(14)11-18/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3
InChIKeyRVBBNPNIKFPNRM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.51
Rot. Bonds4

About [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol

[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol (PubChem CID 83961364) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol
PubChem CID83961364
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol
SMILESCc1ccc(NCC2CCCCC2CO)cc1C
InChIInChI=1S/C16H25NO/c1-12-7-8-16(9-13(12)2)17-10-14-5-3-4-6-15(14)11-18/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3
InChIKeyRVBBNPNIKFPNRM-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[4-(ethylamino)anilino]methyl]cyclohexyl]methanol
CID 83962394
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
2-bromo-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 107276475
2-methyl-4-N-[(2-methylcyclohexyl)methyl]benzene-1,4-diamine
CID 55013391
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 104535105
[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol
CID 83949101
3-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823120
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 104535101
[2-[(3-iodo-4-nitroanilino)methyl]cyclopentyl]methanol
CID 106493289
5-(cycloheptylmethylamino)-2-methylphenol
CID 107699720
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856232

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol (CID 83961364) is [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol is Cc1ccc(NCC2CCCCC2CO)cc1C.
What is the InChIKey of [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol?
The InChIKey is RVBBNPNIKFPNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-8-16(9-13(12)2)17-10-14-5-3-4-6-15(14)11-18/h7-9,14-15,17-18H,3-6,10-11H2,1-2H3.
What are the key properties of [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol?
[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 83961364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).