4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile

C14H18N2O — CID 54884021

IUPAC4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
SMILESCN(CC1CC1)CC(O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-16(9-12-2-3-12)10-14(17)13-6-4-11(8-15)5-7-13/h4-7,12,14,17H,2-3,9-10H2,1H3
InChIKeyAMMXSKMJEDEZTE-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.93
Rot. Bonds5

About 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile

4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile (PubChem CID 54884021) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
PubChem CID54884021
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
SMILESCN(CC1CC1)CC(O)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-16(9-12-2-3-12)10-14(17)13-6-4-11(8-15)5-7-13/h4-7,12,14,17H,2-3,9-10H2,1H3
InChIKeyAMMXSKMJEDEZTE-UHFFFAOYSA-N
XLogP1.93
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
4-[1-hydroxy-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethyl]benzonitrile
CID 79314734
4-[1-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethyl]benzonitrile
CID 60961038
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
4-[1-hydroxy-2-[methyl(2-methylbutyl)amino]ethyl]benzonitrile
CID 43295785
4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 43569122
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile (CID 54884021) is 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile is CN(CC1CC1)CC(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
The InChIKey is AMMXSKMJEDEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(9-12-2-3-12)10-14(17)13-6-4-11(8-15)5-7-13/h4-7,12,14,17H,2-3,9-10H2,1H3.
What are the key properties of 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile?
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 54884021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).