2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile

C11H15N3 — CID 130704957

IUPAC2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile
SMILESCC(CN)Nc1cccc(CC#N)c1
InChIInChI=1S/C11H15N3/c1-9(8-13)14-11-4-2-3-10(7-11)5-6-12/h2-4,7,9,14H,5,8,13H2,1H3
InChIKeyFABSINQIUKQDHR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.51
Rot. Bonds4

About 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile

2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile (PubChem CID 130704957) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile
PubChem CID130704957
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile
SMILESCC(CN)Nc1cccc(CC#N)c1
InChIInChI=1S/C11H15N3/c1-9(8-13)14-11-4-2-3-10(7-11)5-6-12/h2-4,7,9,14H,5,8,13H2,1H3
InChIKeyFABSINQIUKQDHR-UHFFFAOYSA-N
XLogP1.51
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
2-[3-[[(2S)-2-hydroxypropyl]amino]phenyl]acetonitrile
CID 126987104
2-N-(3-propan-2-ylphenyl)propane-1,2-diamine
CID 103387503
2-N-(3-ethynylphenyl)propane-1,2-diamine
CID 82503374
2-[3-(aminomethyl)anilino]propan-1-ol
CID 102813984
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
2-[3-(aminomethyl)phenyl]acetonitrile;hydrochloride
CID 162394423
2-[3-(1-fluoroethyl)phenyl]acetonitrile
CID 84764629
2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
CID 130742207
2-[3-[(1R)-1-amino-2-methylpropyl]phenyl]acetonitrile
CID 55275678
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
methyl 3-[[(2S)-1-aminopropan-2-yl]amino]benzoate
CID 178109446

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile?
The IUPAC name of 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile (CID 130704957) is 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile is CC(CN)Nc1cccc(CC#N)c1.
What is the InChIKey of 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile?
The InChIKey is FABSINQIUKQDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(8-13)14-11-4-2-3-10(7-11)5-6-12/h2-4,7,9,14H,5,8,13H2,1H3.
What are the key properties of 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile?
2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminopropan-2-ylamino)phenyl]acetonitrile is sourced from PubChem (CID 130704957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).