(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine

C17H19F2N — CID 62648688

IUPAC(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2cccc(F)c2F)cc1
InChIInChI=1S/C17H19F2N/c1-3-11(2)12-7-9-13(10-8-12)17(20)14-5-4-6-15(18)16(14)19/h4-11,17H,3,20H2,1-2H3
InChIKeyUMAXUSDEXGVQDG-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.53
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine

(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine (PubChem CID 62648688) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
PubChem CID62648688
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2cccc(F)c2F)cc1
InChIInChI=1S/C17H19F2N/c1-3-11(2)12-7-9-13(10-8-12)17(20)14-5-4-6-15(18)16(14)19/h4-11,17H,3,20H2,1-2H3
InChIKeyUMAXUSDEXGVQDG-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-difluorobenzene
CID 63430545
(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
CID 43108281
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770
(4-butan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 65101153
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
2-(2,3-difluorophenyl)butan-1-amine
CID 130760393
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
1-(4-butan-2-ylphenyl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 81454136
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine (CID 62648688) is (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine is CCC(C)c1ccc(C(N)c2cccc(F)c2F)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine?
The InChIKey is UMAXUSDEXGVQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-3-11(2)12-7-9-13(10-8-12)17(20)14-5-4-6-15(18)16(14)19/h4-11,17H,3,20H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine?
(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine has a molecular weight of 275.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 62648688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).