2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile

C14H19N3O — CID 102624240

IUPAC2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
SMILESN#CCc1cc(NC2CCCCC2O)ccc1N
InChIInChI=1S/C14H19N3O/c15-8-7-10-9-11(5-6-12(10)16)17-13-3-1-2-4-14(13)18/h5-6,9,13-14,17-18H,1-4,7,16H2
InChIKeyBVMLPXJXVVTDDW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.05
Rot. Bonds3

About 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile

2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile (PubChem CID 102624240) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
PubChem CID102624240
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
SMILESN#CCc1cc(NC2CCCCC2O)ccc1N
InChIInChI=1S/C14H19N3O/c15-8-7-10-9-11(5-6-12(10)16)17-13-3-1-2-4-14(13)18/h5-6,9,13-14,17-18H,1-4,7,16H2
InChIKeyBVMLPXJXVVTDDW-UHFFFAOYSA-N
XLogP2.05
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile
CID 106359179
2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
CID 102624577
2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
CID 102624243
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
2-[2-amino-5-[(2,2-dimethylcyclopropyl)amino]phenyl]acetonitrile
CID 102624187
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
CID 102624597
2-[2-amino-5-[(3-ethylcyclohexyl)amino]phenyl]acetonitrile
CID 102624414
2-[2-amino-5-[(3-hydroxycyclobutyl)methylamino]phenyl]acetonitrile
CID 102624464
2-[2-amino-5-[(3-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 114146019
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile (CID 102624240) is 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile is N#CCc1cc(NC2CCCCC2O)ccc1N.
What is the InChIKey of 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile?
The InChIKey is BVMLPXJXVVTDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-8-7-10-9-11(5-6-12(10)16)17-13-3-1-2-4-14(13)18/h5-6,9,13-14,17-18H,1-4,7,16H2.
What are the key properties of 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile?
2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 102624240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).