[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol

C14H21ClN2O — CID 54949040

IUPAC[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol
SMILESCN(CC1CCCCC1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C14H21ClN2O/c1-17(9-11-5-3-2-4-6-11)14-8-7-12(15)13(10-18)16-14/h7-8,11,18H,2-6,9-10H2,1H3
InChIKeyJMRSUVHIAPSYSF-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.24
Rot. Bonds4

About [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol

[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol (PubChem CID 54949040) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol
PubChem CID54949040
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol
SMILESCN(CC1CCCCC1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C14H21ClN2O/c1-17(9-11-5-3-2-4-6-11)14-8-7-12(15)13(10-18)16-14/h7-8,11,18H,2-6,9-10H2,1H3
InChIKeyJMRSUVHIAPSYSF-UHFFFAOYSA-N
XLogP3.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-6-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]methanol
CID 62861534
[3-chloro-6-[methyl(oxan-3-ylmethyl)amino]-2-pyridinyl]methanol
CID 63713496
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
2-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 102636125
6-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 63587269
6-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 62283149
[6-[cyclohexylmethyl(methyl)amino]pyridazin-3-yl]methanol
CID 54949130
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63708108
6-chloro-N-(cyclopentylmethyl)-N-methylpyridazin-3-amine
CID 63655754
[5-chloro-2-[cyclopentylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920404
[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255835
[2-[cyclohexylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 54949087

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol (CID 54949040) is [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol is CN(CC1CCCCC1)c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol?
The InChIKey is JMRSUVHIAPSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(9-11-5-3-2-4-6-11)14-8-7-12(15)13(10-18)16-14/h7-8,11,18H,2-6,9-10H2,1H3.
What are the key properties of [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol?
[3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[cyclohexylmethyl(methyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 54949040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).