4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile

C17H16N2O — CID 174863977

IUPAC4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile
SMILESN#Cc1ccc(OCC2CC2N)c(-c2ccccc2)c1
InChIInChI=1S/C17H16N2O/c18-10-12-6-7-17(20-11-14-9-16(14)19)15(8-12)13-4-2-1-3-5-13/h1-8,14,16H,9,11,19H2
InChIKeyFPAYUZFEKKRGAM-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.95
Rot. Bonds4

About 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile

4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile (PubChem CID 174863977) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile.

Molecular Properties

Compound Name4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile
PubChem CID174863977
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile
SMILESN#Cc1ccc(OCC2CC2N)c(-c2ccccc2)c1
InChIInChI=1S/C17H16N2O/c18-10-12-6-7-17(20-11-14-9-16(14)19)15(8-12)13-4-2-1-3-5-13/h1-8,14,16H,9,11,19H2
InChIKeyFPAYUZFEKKRGAM-UHFFFAOYSA-N
XLogP2.95
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-phenylbenzonitrile
CID 46314741
2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
CID 112547316
4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile
CID 20992555
2-(2-phenylphenyl)benzene-1,4-dicarbonitrile
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4-[2-(4-aminobutoxy)phenyl]benzonitrile
CID 150280795
4-tert-butyl-3-phenylbenzonitrile
CID 90264086
4-(4-ethylphenyl)-3-phenylbenzonitrile
CID 46864016
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorobenzonitrile
CID 79552038
3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-4-methoxybenzonitrile
CID 56654705
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600
3-amino-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzonitrile
CID 104768058
4-methyl-3-(2-phenylmethoxyphenyl)benzonitrile
CID 172914857

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile?
The IUPAC name of 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile (CID 174863977) is 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile.
What is the SMILES notation for 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile?
The canonical SMILES for 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile is N#Cc1ccc(OCC2CC2N)c(-c2ccccc2)c1.
What is the InChIKey of 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile?
The InChIKey is FPAYUZFEKKRGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-10-12-6-7-17(20-11-14-9-16(14)19)15(8-12)13-4-2-1-3-5-13/h1-8,14,16H,9,11,19H2.
What are the key properties of 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile?
4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopropyl)methoxy]-3-phenylbenzonitrile is sourced from PubChem (CID 174863977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).