4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile

C15H20N2O2 — CID 106129848

IUPAC4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1cc(CNCC2CCC(O)C2)ccc1C#N
InChIInChI=1S/C15H20N2O2/c1-19-15-7-12(2-4-13(15)8-16)10-17-9-11-3-5-14(18)6-11/h2,4,7,11,14,17-18H,3,5-6,9-10H2,1H3
InChIKeyMEOHERDKJNAUFE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.82
Rot. Bonds5

About 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile

4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile (PubChem CID 106129848) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
PubChem CID106129848
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
SMILESCOc1cc(CNCC2CCC(O)C2)ccc1C#N
InChIInChI=1S/C15H20N2O2/c1-19-15-7-12(2-4-13(15)8-16)10-17-9-11-3-5-14(18)6-11/h2,4,7,11,14,17-18H,3,5-6,9-10H2,1H3
InChIKeyMEOHERDKJNAUFE-UHFFFAOYSA-N
XLogP1.82
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 106787316
4-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787494
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787482
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787175
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270665
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
4-[[(4-cyanophenyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787146
2-methoxy-4-[(2-methylsulfanylethylamino)methyl]benzonitrile
CID 106787515
4-[(but-2-ynylamino)methyl]-2-methoxybenzonitrile
CID 106787840
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270675

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile (CID 106129848) is 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile is COc1cc(CNCC2CCC(O)C2)ccc1C#N.
What is the InChIKey of 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile?
The InChIKey is MEOHERDKJNAUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-15-7-12(2-4-13(15)8-16)10-17-9-11-3-5-14(18)6-11/h2,4,7,11,14,17-18H,3,5-6,9-10H2,1H3.
What are the key properties of 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile?
4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106129848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).