2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile

C14H18N2O2 — CID 107466646

IUPAC2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NC1CCC(O)CC1
InChIInChI=1S/C14H18N2O2/c1-18-13-4-2-3-10(9-15)14(13)16-11-5-7-12(17)8-6-11/h2-4,11-12,16-17H,5-8H2,1H3
InChIKeyDAOAZWHEIFZWNA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.28
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile

2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile (PubChem CID 107466646) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile
PubChem CID107466646
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NC1CCC(O)CC1
InChIInChI=1S/C14H18N2O2/c1-18-13-4-2-3-10(9-15)14(13)16-11-5-7-12(17)8-6-11/h2-4,11-12,16-17H,5-8H2,1H3
InChIKeyDAOAZWHEIFZWNA-UHFFFAOYSA-N
XLogP2.28
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)amino]-3-methoxybenzonitrile
CID 107467134
3-methoxy-2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzonitrile
CID 107466782
2-[(3-ethylcyclohexyl)amino]-3-methoxybenzonitrile
CID 107466643
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
CID 107466821
3-methoxy-2-[(3-methylsulfonylcyclohexyl)amino]benzonitrile
CID 107467482
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile
CID 107466723
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile
CID 107466799
3-methoxy-2-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 107467038
benzyl N-[3-(2-cyano-6-methoxyanilino)cyclobutyl]carbamate
CID 107466968
2-(cyclobutylamino)-3-methylbenzonitrile
CID 107106808
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile (CID 107466646) is 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile?
The InChIKey is DAOAZWHEIFZWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-4-2-3-10(9-15)14(13)16-11-5-7-12(17)8-6-11/h2-4,11-12,16-17H,5-8H2,1H3.
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile?
2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).