2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile

C14H18N2O — CID 55079116

IUPAC2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
SMILESCCCOc1cccc(C(C#N)NC2CC2)c1
InChIInChI=1S/C14H18N2O/c1-2-8-17-13-5-3-4-11(9-13)14(10-15)16-12-6-7-12/h3-5,9,12,14,16H,2,6-8H2,1H3
InChIKeyHPIMPYKKZWAHAE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.79
Rot. Bonds6

About 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile

2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile (PubChem CID 55079116) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
PubChem CID55079116
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile
SMILESCCCOc1cccc(C(C#N)NC2CC2)c1
InChIInChI=1S/C14H18N2O/c1-2-8-17-13-5-3-4-11(9-13)14(10-15)16-12-6-7-12/h3-5,9,12,14,16H,2,6-8H2,1H3
InChIKeyHPIMPYKKZWAHAE-UHFFFAOYSA-N
XLogP2.79
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-(3-ethoxyphenyl)acetonitrile
CID 54894477
2-(cyclopropylamino)-2-(4-propoxyphenyl)acetonitrile
CID 62496121
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
2-(cyclopentylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104720
2-(2-bromoanilino)-2-(3-propoxyphenyl)acetonitrile
CID 62496139
1-(3-propoxyphenyl)prop-2-ynylhydrazine
CID 105315638
2-(3-ethoxyphenyl)-2-(propylamino)acetonitrile
CID 60873158
2-(3-butoxyphenyl)-2-hydroxyacetonitrile
CID 162514765
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile?
The IUPAC name of 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile (CID 55079116) is 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile is CCCOc1cccc(C(C#N)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile?
The InChIKey is HPIMPYKKZWAHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-8-17-13-5-3-4-11(9-13)14(10-15)16-12-6-7-12/h3-5,9,12,14,16H,2,6-8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile?
2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3-propoxyphenyl)acetonitrile is sourced from PubChem (CID 55079116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).