2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile

C17H25N3O — CID 78912493

IUPAC2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
SMILESCN(C)C1(CNCc2ccc(OCC#N)cc2)CCCC1
InChIInChI=1S/C17H25N3O/c1-20(2)17(9-3-4-10-17)14-19-13-15-5-7-16(8-6-15)21-12-11-18/h5-8,19H,3-4,9-10,12-14H2,1-2H3
InChIKeyVMDZZKUKYDXLPM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.55
Rot. Bonds7

About 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile

2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile (PubChem CID 78912493) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
PubChem CID78912493
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile
SMILESCN(C)C1(CNCc2ccc(OCC#N)cc2)CCCC1
InChIInChI=1S/C17H25N3O/c1-20(2)17(9-3-4-10-17)14-19-13-15-5-7-16(8-6-15)21-12-11-18/h5-8,19H,3-4,9-10,12-14H2,1-2H3
InChIKeyVMDZZKUKYDXLPM-UHFFFAOYSA-N
XLogP2.55
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[[(4-propoxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912486
N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 105414481
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
2-[4-[(prop-2-ynylamino)methyl]phenoxy]acetonitrile
CID 43221239
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile
CID 114756105
2-[2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetonitrile
CID 105414765
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
2-[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenoxy]acetonitrile
CID 62635400
3-[[4-(cyanomethoxy)phenyl]methylamino]propanenitrile
CID 43221535
2-[4-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenoxy]acetonitrile
CID 43220892

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile (CID 78912493) is 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile is CN(C)C1(CNCc2ccc(OCC#N)cc2)CCCC1.
What is the InChIKey of 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile?
The InChIKey is VMDZZKUKYDXLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20(2)17(9-3-4-10-17)14-19-13-15-5-7-16(8-6-15)21-12-11-18/h5-8,19H,3-4,9-10,12-14H2,1-2H3.
What are the key properties of 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile?
2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 78912493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).