2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile

C16H22N2O — CID 65479716

IUPAC2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCCC(NC)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C16H22N2O/c1-3-14(18-2)13-6-4-5-7-15(13)19-12-16(8-9-16)10-11-17/h4-7,14,18H,3,8-10,12H2,1-2H3
InChIKeyISPDBDNRKTYWMF-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.43
Rot. Bonds7

About 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile

2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile (PubChem CID 65479716) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
PubChem CID65479716
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile
SMILESCCC(NC)c1ccccc1OCC1(CC#N)CC1
InChIInChI=1S/C16H22N2O/c1-3-14(18-2)13-6-4-5-7-15(13)19-12-16(8-9-16)10-11-17/h4-7,14,18H,3,8-10,12H2,1-2H3
InChIKeyISPDBDNRKTYWMF-UHFFFAOYSA-N
XLogP3.43
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(1-hydroxypropyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 65496934
2-[1-[[2-[(1R)-1-aminopropyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480727
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65493238
2-[1-[[2-[(1R)-1-hydroxyethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 79009115
2-[1-[(2-aminophenoxy)methyl]cyclopropyl]acetonitrile
CID 65482283
2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
CID 65256837
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
2-[1-[(4-ethoxyphenoxy)methyl]cyclopropyl]acetonitrile
CID 65492412
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208142
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
2-[1-[(2,3-dichlorophenoxy)methyl]cyclopropyl]acetonitrile
CID 65493035

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile (CID 65479716) is 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile is CCC(NC)c1ccccc1OCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile?
The InChIKey is ISPDBDNRKTYWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-14(18-2)13-6-4-5-7-15(13)19-12-16(8-9-16)10-11-17/h4-7,14,18H,3,8-10,12H2,1-2H3.
What are the key properties of 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile?
2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[1-(methylamino)propyl]phenoxy]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65479716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).