4-(2-amino-1-phenylethoxy)benzonitrile

C15H14N2O — CID 55017587

IUPAC4-(2-amino-1-phenylethoxy)benzonitrile
SMILESN#Cc1ccc(OC(CN)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O/c16-10-12-6-8-14(9-7-12)18-15(11-17)13-4-2-1-3-5-13/h1-9,15H,11,17H2
InChIKeyQPOSDYGWGIWYGJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.64
Rot. Bonds4

About 4-(2-amino-1-phenylethoxy)benzonitrile

4-(2-amino-1-phenylethoxy)benzonitrile (PubChem CID 55017587) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-amino-1-phenylethoxy)benzonitrile.

Molecular Properties

Compound Name4-(2-amino-1-phenylethoxy)benzonitrile
PubChem CID55017587
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(2-amino-1-phenylethoxy)benzonitrile
SMILESN#Cc1ccc(OC(CN)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O/c16-10-12-6-8-14(9-7-12)18-15(11-17)13-4-2-1-3-5-13/h1-9,15H,11,17H2
InChIKeyQPOSDYGWGIWYGJ-UHFFFAOYSA-N
XLogP2.64
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
4-[phenoxy-[4-(phenoxymethoxy)phenoxy]methoxy]benzonitrile
CID 130209313
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506
[4-[2-[4-(4-cyanobenzoyl)oxybenzoyl]oxy-2-phenylethoxy]carbonylphenyl] 4-cyanobenzoate
CID 19742368
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883
4-[4-(1-aminopropan-2-yl)phenoxy]benzonitrile
CID 116996793

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-phenylethoxy)benzonitrile?
The IUPAC name of 4-(2-amino-1-phenylethoxy)benzonitrile (CID 55017587) is 4-(2-amino-1-phenylethoxy)benzonitrile.
What is the SMILES notation for 4-(2-amino-1-phenylethoxy)benzonitrile?
The canonical SMILES for 4-(2-amino-1-phenylethoxy)benzonitrile is N#Cc1ccc(OC(CN)c2ccccc2)cc1.
What is the InChIKey of 4-(2-amino-1-phenylethoxy)benzonitrile?
The InChIKey is QPOSDYGWGIWYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-10-12-6-8-14(9-7-12)18-15(11-17)13-4-2-1-3-5-13/h1-9,15H,11,17H2.
What are the key properties of 4-(2-amino-1-phenylethoxy)benzonitrile?
4-(2-amino-1-phenylethoxy)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-phenylethoxy)benzonitrile is sourced from PubChem (CID 55017587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).