[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol

C17H28N2O — CID 115377142

IUPAC[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
SMILESCc1ccc(NCC2(CO)CCCCC2)cc1N(C)C
InChIInChI=1S/C17H28N2O/c1-14-7-8-15(11-16(14)19(2)3)18-12-17(13-20)9-5-4-6-10-17/h7-8,11,18,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyIRLUZHJZUJSBEK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds5

About [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol

[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol (PubChem CID 115377142) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
PubChem CID115377142
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
SMILESCc1ccc(NCC2(CO)CCCCC2)cc1N(C)C
InChIInChI=1S/C17H28N2O/c1-14-7-8-15(11-16(14)19(2)3)18-12-17(13-20)9-5-4-6-10-17/h7-8,11,18,20H,4-6,9-10,12-13H2,1-3H3
InChIKeyIRLUZHJZUJSBEK-UHFFFAOYSA-N
XLogP3.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylphenyl]acetamide
CID 81400351
[1-[(2,3-dihydro-1H-inden-5-ylamino)methyl]cyclohexyl]methanol
CID 81411087
[1-[(thiophen-3-ylamino)methyl]cyclohexyl]methanol
CID 81419673
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(4-iodoanilino)methyl]cyclohexyl]methanol
CID 81412401
2-[2-amino-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]phenyl]acetonitrile
CID 102624620
[1-[(3-methylsulfanylanilino)methyl]cyclohexyl]methanol
CID 81410870
[1-[(4-chloro-3-methoxyanilino)methyl]cyclohexyl]methanol
CID 107620978
[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
CID 81412695
[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
CID 81400832
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
CID 113297783
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methylbenzoic acid
CID 115455537

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol (CID 115377142) is [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol is Cc1ccc(NCC2(CO)CCCCC2)cc1N(C)C.
What is the InChIKey of [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol?
The InChIKey is IRLUZHJZUJSBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-7-8-15(11-16(14)19(2)3)18-12-17(13-20)9-5-4-6-10-17/h7-8,11,18,20H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol?
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol has a molecular weight of 276.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 115377142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).