2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile

C18H18N2O — CID 107849941

IUPAC2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1CNC1Cc2ccccc2C1
InChIInChI=1S/C18H18N2O/c19-9-10-21-18-8-4-3-7-16(18)13-20-17-11-14-5-1-2-6-15(14)12-17/h1-8,17,20H,10-13H2
InChIKeyNTOVHQGJQZWVTI-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile

2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile (PubChem CID 107849941) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
PubChem CID107849941
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
SMILESN#CCOc1ccccc1CNC1Cc2ccccc2C1
InChIInChI=1S/C18H18N2O/c19-9-10-21-18-8-4-3-7-16(18)13-20-17-11-14-5-1-2-6-15(14)12-17/h1-8,17,20H,10-13H2
InChIKeyNTOVHQGJQZWVTI-UHFFFAOYSA-N
XLogP2.85
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(oxan-4-ylamino)methyl]phenoxy]acetonitrile
CID 43778465
2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43220626
2-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43223576
2-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
CID 103902231
2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43434087
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenoxy]acetonitrile
CID 43435306
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-[2-[(1,4-dioxan-2-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54908924
2-[4-bromo-2-[(cyclopropylamino)methyl]phenoxy]acetonitrile
CID 60883120

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile (CID 107849941) is 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile is N#CCOc1ccccc1CNC1Cc2ccccc2C1.
What is the InChIKey of 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile?
The InChIKey is NTOVHQGJQZWVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-9-10-21-18-8-4-3-7-16(18)13-20-17-11-14-5-1-2-6-15(14)12-17/h1-8,17,20H,10-13H2.
What are the key properties of 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile?
2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 107849941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).