2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile

C13H18N2O2 — CID 60889954

IUPAC2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
SMILESCOc1cccc(CNC(C)C)c1OCC#N
InChIInChI=1S/C13H18N2O2/c1-10(2)15-9-11-5-4-6-12(16-3)13(11)17-8-7-14/h4-6,10,15H,8-9H2,1-3H3
InChIKeyMQLOBUHTCAXMQF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.10
Rot. Bonds6

About 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile

2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile (PubChem CID 60889954) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
PubChem CID60889954
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
SMILESCOc1cccc(CNC(C)C)c1OCC#N
InChIInChI=1S/C13H18N2O2/c1-10(2)15-9-11-5-4-6-12(16-3)13(11)17-8-7-14/h4-6,10,15H,8-9H2,1-3H3
InChIKeyMQLOBUHTCAXMQF-UHFFFAOYSA-N
XLogP2.10
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile 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-[2-(bromomethyl)-6-methoxyphenoxy]acetonitrile
CID 43471913
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603
N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 60915922
N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807461
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43472036
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile (CID 60889954) is 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile is COc1cccc(CNC(C)C)c1OCC#N.
What is the InChIKey of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
The InChIKey is MQLOBUHTCAXMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)15-9-11-5-4-6-12(16-3)13(11)17-8-7-14/h4-6,10,15H,8-9H2,1-3H3.
What are the key properties of 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile has a molecular weight of 234.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 60889954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).