(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine

C17H16BrF2N — CID 105052438

IUPAC(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
SMILESNC(c1ccccc1C1CCC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C17H16BrF2N/c18-11-8-14(19)16(15(20)9-11)17(21)13-7-2-1-6-12(13)10-4-3-5-10/h1-2,6-10,17H,3-5,21H2
InChIKeySEEGMNCGFNIIRT-UHFFFAOYSA-N
MW352.22 g/mol
LogP5.04
Rot. Bonds3

About (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine

(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine (PubChem CID 105052438) has the molecular formula C17H16BrF2N and a molecular weight of 352.22 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
PubChem CID105052438
Molecular FormulaC17H16BrF2N
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
SMILESNC(c1ccccc1C1CCC1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C17H16BrF2N/c18-11-8-14(19)16(15(20)9-11)17(21)13-7-2-1-6-12(13)10-4-3-5-10/h1-2,6-10,17H,3-5,21H2
InChIKeySEEGMNCGFNIIRT-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.22
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
CID 105052284
(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
(2-bromo-5-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105188852
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115850579
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine
CID 114602566
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
4-bromo-1-cyclobutyl-2-fluorobenzene
CID 130893148

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine (CID 105052438) is (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine is NC(c1ccccc1C1CCC1)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine?
The InChIKey is SEEGMNCGFNIIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N/c18-11-8-14(19)16(15(20)9-11)17(21)13-7-2-1-6-12(13)10-4-3-5-10/h1-2,6-10,17H,3-5,21H2.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine has a molecular weight of 352.22 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105052438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).