2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile

C18H18N2 — CID 65497530

IUPAC2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H18N2/c19-13-12-18(10-11-18)14-20-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,20H,10-12,14H2
InChIKeyUGDCTUGXZVBJGW-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.46
Rot. Bonds5

About 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile

2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile (PubChem CID 65497530) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile
PubChem CID65497530
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H18N2/c19-13-12-18(10-11-18)14-20-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,20H,10-12,14H2
InChIKeyUGDCTUGXZVBJGW-UHFFFAOYSA-N
XLogP4.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile (CID 65497530) is 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile?
The InChIKey is UGDCTUGXZVBJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-13-12-18(10-11-18)14-20-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,20H,10-12,14H2.
What are the key properties of 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-phenylanilino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).