2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile

C14H18N2O3 — CID 107744303

IUPAC2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile
SMILESCOc1cc(CO)ccc1OCC(C#N)NC1CC1
InChIInChI=1S/C14H18N2O3/c1-18-14-6-10(8-17)2-5-13(14)19-9-12(7-15)16-11-3-4-11/h2,5-6,11-12,16-17H,3-4,8-9H2,1H3
InChIKeyQTQVCZLITRLFBK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.21
Rot. Bonds7

About 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile

2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile (PubChem CID 107744303) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile
PubChem CID107744303
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile
SMILESCOc1cc(CO)ccc1OCC(C#N)NC1CC1
InChIInChI=1S/C14H18N2O3/c1-18-14-6-10(8-17)2-5-13(14)19-9-12(7-15)16-11-3-4-11/h2,5-6,11-12,16-17H,3-4,8-9H2,1H3
InChIKeyQTQVCZLITRLFBK-UHFFFAOYSA-N
XLogP1.21
TPSA74.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)propan-1-ol
CID 107669202
4-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-(propan-2-ylamino)butanenitrile
CID 107744385
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
CID 55055291
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
3-(5-chloro-2-nitrophenoxy)-2-(cyclopropylamino)propanenitrile
CID 55057857
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)acetonitrile
CID 65096678
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate
CID 167777930
2-(cyclopropylamino)-3-(4-ethyl-2-methoxyphenoxy)-2-methylpropanenitrile
CID 107667870

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile (CID 107744303) is 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile is COc1cc(CO)ccc1OCC(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile?
The InChIKey is QTQVCZLITRLFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-14-6-10(8-17)2-5-13(14)19-9-12(7-15)16-11-3-4-11/h2,5-6,11-12,16-17H,3-4,8-9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile?
2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile has a molecular weight of 262.31 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile is sourced from PubChem (CID 107744303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).