2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile

C15H22N2O2 — CID 84816623

IUPAC2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile
SMILESCCCOc1ccc(C(C#N)NC(C)C)cc1OC
InChIInChI=1S/C15H22N2O2/c1-5-8-19-14-7-6-12(9-15(14)18-4)13(10-16)17-11(2)3/h6-7,9,11,13,17H,5,8H2,1-4H3
InChIKeyFYIVVPSAKOYSDB-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.05
Rot. Bonds7

About 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile

2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile (PubChem CID 84816623) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile
PubChem CID84816623
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile
SMILESCCCOc1ccc(C(C#N)NC(C)C)cc1OC
InChIInChI=1S/C15H22N2O2/c1-5-8-19-14-7-6-12(9-15(14)18-4)13(10-16)17-11(2)3/h6-7,9,11,13,17H,5,8H2,1-4H3
InChIKeyFYIVVPSAKOYSDB-UHFFFAOYSA-N
XLogP3.05
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile
CID 55079162
4-hept-4-yn-2-yl-2-methoxy-1-propoxybenzene
CID 83938504
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
4-hex-5-yn-3-yl-2-methoxy-1-propoxybenzene
CID 83938505
2-(benzylamino)-2-(4-ethoxy-3-methoxyphenyl)acetonitrile
CID 84816788
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83938445
2-(3,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetonitrile
CID 84817434
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile (CID 84816623) is 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile is CCCOc1ccc(C(C#N)NC(C)C)cc1OC.
What is the InChIKey of 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
The InChIKey is FYIVVPSAKOYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-8-19-14-7-6-12(9-15(14)18-4)13(10-16)17-11(2)3/h6-7,9,11,13,17H,5,8H2,1-4H3.
What are the key properties of 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile has a molecular weight of 262.35 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-propoxyphenyl)-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 84816623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).