2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile

C14H17ClN2O — CID 64571475

IUPAC2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1OCC1(N)CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-5-13(11(8-12)9-16)18-10-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,10,17H2
InChIKeyCVJKQURLVFTIMQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.25
Rot. Bonds3

About 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile

2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile (PubChem CID 64571475) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile
PubChem CID64571475
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1OCC1(N)CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-5-13(11(8-12)9-16)18-10-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,10,17H2
InChIKeyCVJKQURLVFTIMQ-UHFFFAOYSA-N
XLogP3.25
TPSA59.04 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-aminocyclopentyl)methoxy]-5-(trifluoromethyl)benzonitrile
CID 64572246
4-[(1-aminocycloheptyl)methoxy]-2-bromo-3-fluorobenzonitrile
CID 107539832
2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide
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4-[(1-aminocycloheptyl)methoxy]-2-bromobenzonitrile
CID 107281557
2-(3-aminopropoxy)-5-chlorobenzonitrile
CID 62493723
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
5-chloro-2-(2-phenoxyethoxy)benzonitrile
CID 20989483
1-[(2-iodo-4-nitrophenoxy)methyl]cyclohexan-1-amine
CID 66094336
1-[(2-methyl-4-nitrophenoxy)methyl]cycloheptan-1-amine
CID 64548981
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile?
The IUPAC name of 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile (CID 64571475) is 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile.
What is the SMILES notation for 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile?
The canonical SMILES for 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1OCC1(N)CCCCC1.
What is the InChIKey of 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile?
The InChIKey is CVJKQURLVFTIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-4-5-13(11(8-12)9-16)18-10-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,10,17H2.
What are the key properties of 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile?
2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile has a molecular weight of 264.76 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclohexyl)methoxy]-5-chlorobenzonitrile is sourced from PubChem (CID 64571475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).