2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile

C14H18N2O — CID 104954545

IUPAC2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile
SMILESN#Cc1ccccc1CNCC1(CCO)CC1
InChIInChI=1S/C14H18N2O/c15-9-12-3-1-2-4-13(12)10-16-11-14(5-6-14)7-8-17/h1-4,16-17H,5-8,10-11H2
InChIKeyZAIKXGJGTOSVGT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.81
Rot. Bonds6

About 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile

2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile (PubChem CID 104954545) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile
PubChem CID104954545
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile
SMILESN#Cc1ccccc1CNCC1(CCO)CC1
InChIInChI=1S/C14H18N2O/c15-9-12-3-1-2-4-13(12)10-16-11-14(5-6-14)7-8-17/h1-4,16-17H,5-8,10-11H2
InChIKeyZAIKXGJGTOSVGT-UHFFFAOYSA-N
XLogP1.81
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzene-1,2-diol
CID 114756017
2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750185
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-4-methoxybenzonitrile
CID 114756535
2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
2-[(cyanomethylamino)methyl]benzonitrile
CID 46942219
2-[1-[[(2-ethylphenyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65497124
2-[1-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclopropyl]ethanol
CID 104954541
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzonitrile
CID 66090461
2-[1-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750045
2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile
CID 114756105

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile?
The IUPAC name of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile (CID 104954545) is 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile?
The canonical SMILES for 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile is N#Cc1ccccc1CNCC1(CCO)CC1.
What is the InChIKey of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile?
The InChIKey is ZAIKXGJGTOSVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-9-12-3-1-2-4-13(12)10-16-11-14(5-6-14)7-8-17/h1-4,16-17H,5-8,10-11H2.
What are the key properties of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile?
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile is sourced from PubChem (CID 104954545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).