2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile

C19H22N2O — CID 84816546

IUPAC2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile
SMILESCC(C)CNC(C#N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-15(2)13-21-19(12-20)17-9-6-10-18(11-17)22-14-16-7-4-3-5-8-16/h3-11,15,19,21H,13-14H2,1-2H3
InChIKeyOLLMSIPMPCBPET-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.08
Rot. Bonds7

About 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile

2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile (PubChem CID 84816546) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile
PubChem CID84816546
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile
SMILESCC(C)CNC(C#N)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-15(2)13-21-19(12-20)17-9-6-10-18(11-17)22-14-16-7-4-3-5-8-16/h3-11,15,19,21H,13-14H2,1-2H3
InChIKeyOLLMSIPMPCBPET-UHFFFAOYSA-N
XLogP4.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887188
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 82020084
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
N-ethyl-1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077579
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
2-(3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 112500762
[(2S)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834538
[(2R)-2-(3-phenylmethoxyphenyl)propyl]phosphonic acid
CID 172834539
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile?
The IUPAC name of 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile (CID 84816546) is 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile is CC(C)CNC(C#N)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile?
The InChIKey is OLLMSIPMPCBPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15(2)13-21-19(12-20)17-9-6-10-18(11-17)22-14-16-7-4-3-5-8-16/h3-11,15,19,21H,13-14H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile?
2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile has a molecular weight of 294.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-2-(3-phenylmethoxyphenyl)acetonitrile is sourced from PubChem (CID 84816546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).