5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile

C14H17ClN2O — CID 115868668

IUPAC5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
SMILESCN(CC1(O)CCCC1)c1ccc(Cl)cc1C#N
InChIInChI=1S/C14H17ClN2O/c1-17(10-14(18)6-2-3-7-14)13-5-4-12(15)8-11(13)9-16/h4-5,8,18H,2-3,6-7,10H2,1H3
InChIKeyGWNUGDQFQAYSII-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.95
Rot. Bonds3

About 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile

5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile (PubChem CID 115868668) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
PubChem CID115868668
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile
SMILESCN(CC1(O)CCCC1)c1ccc(Cl)cc1C#N
InChIInChI=1S/C14H17ClN2O/c1-17(10-14(18)6-2-3-7-14)13-5-4-12(15)8-11(13)9-16/h4-5,8,18H,2-3,6-7,10H2,1H3
InChIKeyGWNUGDQFQAYSII-UHFFFAOYSA-N
XLogP2.95
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
4-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylbenzonitrile
CID 114949288
5-chloro-2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 63693164
1-[[5-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]methyl]cyclopentan-1-ol
CID 114950569
4-chloro-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949633
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
5-chloro-2-[methyl(oxan-3-ylmethyl)amino]benzonitrile
CID 55226842
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
5-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63273515

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile?
The IUPAC name of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile (CID 115868668) is 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile is CN(CC1(O)CCCC1)c1ccc(Cl)cc1C#N.
What is the InChIKey of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile?
The InChIKey is GWNUGDQFQAYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17(10-14(18)6-2-3-7-14)13-5-4-12(15)8-11(13)9-16/h4-5,8,18H,2-3,6-7,10H2,1H3.
What are the key properties of 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile?
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 115868668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).