4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile

C14H15F3N2O — CID 103989797

IUPAC4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile
SMILESCOC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H15F3N2O/c1-20-13(5-2-6-13)9-19-11-4-3-10(8-18)12(7-11)14(15,16)17/h3-4,7,19H,2,5-6,9H2,1H3
InChIKeySUQWUGKTXOTCNG-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.56
Rot. Bonds4

About 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile

4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile (PubChem CID 103989797) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile
PubChem CID103989797
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile
SMILESCOC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCC1
InChIInChI=1S/C14H15F3N2O/c1-20-13(5-2-6-13)9-19-11-4-3-10(8-18)12(7-11)14(15,16)17/h3-4,7,19H,2,5-6,9H2,1H3
InChIKeySUQWUGKTXOTCNG-UHFFFAOYSA-N
XLogP3.56
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyoxan-4-yl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 133399975
4-(3,3-dimethylbutylamino)-2-(trifluoromethyl)benzonitrile
CID 65483961
4-(cyclopropylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 11481851
4-(3-methoxypropylamino)-2-(trifluoromethyl)benzonitrile
CID 43153340
4-(pentylamino)-2-(trifluoromethyl)benzonitrile
CID 43138516
4-(3-cyclopentylpropylamino)-2-(trifluoromethyl)benzonitrile
CID 106011514
4-[(2,5-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 56553972
4-(3-cyclopropylpropylamino)-2-(trifluoromethyl)benzonitrile
CID 115637530
5-[(1-methylsulfanylcyclopropyl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 107269026
4-[2-[methyl(propan-2-yl)amino]ethylamino]-2-(trifluoromethyl)benzonitrile
CID 62641516
4-(thian-4-ylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 115625277
4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-(trifluoromethyl)benzonitrile
CID 106254337

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile (CID 103989797) is 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile is COC1(CNc2ccc(C#N)c(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is SUQWUGKTXOTCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-20-13(5-2-6-13)9-19-11-4-3-10(8-18)12(7-11)14(15,16)17/h3-4,7,19H,2,5-6,9H2,1H3.
What are the key properties of 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile?
4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxycyclobutyl)methylamino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 103989797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).