2-amino-2-(4-propylphenyl)acetonitrile

C11H14N2 — CID 90203158

IUPAC2-amino-2-(4-propylphenyl)acetonitrile
SMILESCCCc1ccc(C(N)C#N)cc1
InChIInChI=1S/C11H14N2/c1-2-3-9-4-6-10(7-5-9)11(13)8-12/h4-7,11H,2-3,13H2,1H3
InChIKeyHUQFNWQSUNGPHD-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-2-(4-propylphenyl)acetonitrile

2-amino-2-(4-propylphenyl)acetonitrile (PubChem CID 90203158) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-amino-2-(4-propylphenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(4-propylphenyl)acetonitrile
PubChem CID90203158
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-amino-2-(4-propylphenyl)acetonitrile
SMILESCCCc1ccc(C(N)C#N)cc1
InChIInChI=1S/C11H14N2/c1-2-3-9-4-6-10(7-5-9)11(13)8-12/h4-7,11H,2-3,13H2,1H3
InChIKeyHUQFNWQSUNGPHD-UHFFFAOYSA-N
XLogP2.16
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
(2R)-2-amino-2-(4-aminophenyl)acetonitrile
CID 126961304
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
ethyl 2-amino-2-(4-propylphenyl)acetate
CID 116947143
[1-(aminomethyl)cyclobutyl]-(4-propylphenyl)methanamine
CID 116943807
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
3-(4-propylphenyl)butyl thiocyanate
CID 112717122
2-N,2-N,2-trimethyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79054269

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-propylphenyl)acetonitrile?
The IUPAC name of 2-amino-2-(4-propylphenyl)acetonitrile (CID 90203158) is 2-amino-2-(4-propylphenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(4-propylphenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(4-propylphenyl)acetonitrile is CCCc1ccc(C(N)C#N)cc1.
What is the InChIKey of 2-amino-2-(4-propylphenyl)acetonitrile?
The InChIKey is HUQFNWQSUNGPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-3-9-4-6-10(7-5-9)11(13)8-12/h4-7,11H,2-3,13H2,1H3.
What are the key properties of 2-amino-2-(4-propylphenyl)acetonitrile?
2-amino-2-(4-propylphenyl)acetonitrile has a molecular weight of 174.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-propylphenyl)acetonitrile is sourced from PubChem (CID 90203158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).