2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile

C19H20N2 — CID 43722321

IUPAC2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile
SMILESCc1ccc(C2CC(Nc3ccc(CC#N)cc3)C2)cc1
InChIInChI=1S/C19H20N2/c1-14-2-6-16(7-3-14)17-12-19(13-17)21-18-8-4-15(5-9-18)10-11-20/h2-9,17,19,21H,10,12-13H2,1H3
InChIKeyMQYOUFVLRQICRV-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.42
Rot. Bonds4

About 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile

2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile (PubChem CID 43722321) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile
PubChem CID43722321
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile
SMILESCc1ccc(C2CC(Nc3ccc(CC#N)cc3)C2)cc1
InChIInChI=1S/C19H20N2/c1-14-2-6-16(7-3-14)17-12-19(13-17)21-18-8-4-15(5-9-18)10-11-20/h2-9,17,19,21H,10,12-13H2,1H3
InChIKeyMQYOUFVLRQICRV-UHFFFAOYSA-N
XLogP4.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile (CID 43722321) is 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile is Cc1ccc(C2CC(Nc3ccc(CC#N)cc3)C2)cc1.
What is the InChIKey of 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile?
The InChIKey is MQYOUFVLRQICRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-2-6-16(7-3-14)17-12-19(13-17)21-18-8-4-15(5-9-18)10-11-20/h2-9,17,19,21H,10,12-13H2,1H3.
What are the key properties of 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile?
2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile has a molecular weight of 276.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-methylphenyl)cyclobutyl]amino]phenyl]acetonitrile is sourced from PubChem (CID 43722321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).