2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile

C17H22N2O — CID 103922020

IUPAC2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
SMILESCC(NCC1(C2CC2)CC1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H22N2O/c1-13(19-12-17(8-9-17)15-4-5-15)14-2-6-16(7-3-14)20-11-10-18/h2-3,6-7,13,15,19H,4-5,8-9,11-12H2,1H3
InChIKeySCWJAIWEUBQDQQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.43
Rot. Bonds7

About 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile

2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile (PubChem CID 103922020) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
PubChem CID103922020
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
SMILESCC(NCC1(C2CC2)CC1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H22N2O/c1-13(19-12-17(8-9-17)15-4-5-15)14-2-6-16(7-3-14)20-11-10-18/h2-3,6-7,13,15,19H,4-5,8-9,11-12H2,1H3
InChIKeySCWJAIWEUBQDQQ-UHFFFAOYSA-N
XLogP3.43
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 106126098
4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]-N,N-dimethylaniline
CID 103904163
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
CID 43776527
2-[4-[1-(3-cyclopentylpropylamino)ethyl]phenoxy]acetonitrile
CID 103913730
2-[4-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103883947
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile
CID 62847896
2-[4-[1-(3-aminopropylamino)ethyl]phenoxy]acetonitrile
CID 55021387
2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
CID 43784266
2-[4-[1-(octylamino)ethyl]phenoxy]acetonitrile
CID 115566869
2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
CID 64923501

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile (CID 103922020) is 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile is CC(NCC1(C2CC2)CC1)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile?
The InChIKey is SCWJAIWEUBQDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(19-12-17(8-9-17)15-4-5-15)14-2-6-16(7-3-14)20-11-10-18/h2-3,6-7,13,15,19H,4-5,8-9,11-12H2,1H3.
What are the key properties of 2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile?
2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile has a molecular weight of 270.38 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-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 103922020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).