(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine

C17H16F3N — CID 63080571

IUPAC(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H16F3N/c18-13-8-7-12(14(19)15(13)20)16(21)17(9-4-10-17)11-5-2-1-3-6-11/h1-3,5-8,16H,4,9-10,21H2
InChIKeyUQVURMHYUALVKV-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.23
Rot. Bonds3

About (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine

(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 63080571) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID63080571
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1F)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H16F3N/c18-13-8-7-12(14(19)15(13)20)16(21)17(9-4-10-17)11-5-2-1-3-6-11/h1-3,5-8,16H,4,9-10,21H2
InChIKeyUQVURMHYUALVKV-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 63988826
(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 79721756
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065985
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
(2-ethoxyphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079875
(2-methoxyphenyl)-(1-phenylcyclopentyl)methanamine
CID 63080445
1-benzothiophen-7-yl-(1-phenylcyclobutyl)methanamine
CID 81128732
(4-methyl-3-pyridinyl)-(1-phenylcyclohexyl)methanamine
CID 66272498
1-benzhydryl-2,3,4-trifluorobenzene
CID 171476806

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine (CID 63080571) is (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine is NC(c1ccc(F)c(F)c1F)C1(c2ccccc2)CCC1.
What is the InChIKey of (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is UQVURMHYUALVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-13-8-7-12(14(19)15(13)20)16(21)17(9-4-10-17)11-5-2-1-3-6-11/h1-3,5-8,16H,4,9-10,21H2.
What are the key properties of (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine?
(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 291.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 63080571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).