2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

C15H22N2O — CID 61210762

IUPAC2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCCC(C)NC(C#N)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H22N2O/c1-5-12(4)17-15(10-16)13-7-6-8-14(9-13)18-11(2)3/h6-9,11-12,15,17H,5H2,1-4H3
InChIKeyPPNBVFGYCLSOJU-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.43
Rot. Bonds6

About 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile

2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (PubChem CID 61210762) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
PubChem CID61210762
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCCC(C)NC(C#N)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H22N2O/c1-5-12(4)17-15(10-16)13-7-6-8-14(9-13)18-11(2)3/h6-9,11-12,15,17H,5H2,1-4H3
InChIKeyPPNBVFGYCLSOJU-UHFFFAOYSA-N
XLogP3.43
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 84817250
2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile
CID 61023744
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 82020084
2-(2-bromoanilino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210570
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 84756911
2-(butan-2-ylamino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648620
2-(propan-2-ylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104701
2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile
CID 61023871
2-(3-ethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887188
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile (CID 61210762) is 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is CCC(C)NC(C#N)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is PPNBVFGYCLSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-12(4)17-15(10-16)13-7-6-8-14(9-13)18-11(2)3/h6-9,11-12,15,17H,5H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile?
2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 246.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 61210762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).