(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine

C16H16BrF2N — CID 105050580

IUPAC(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-4-10-5-3-6-11(7-10)16(20)15-13(18)8-12(17)9-14(15)19/h3,5-9,16H,2,4,20H2,1H3
InChIKeyDDQOVNMDTMDENT-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.73
Rot. Bonds4

About (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine

(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine (PubChem CID 105050580) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
PubChem CID105050580
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C16H16BrF2N/c1-2-4-10-5-3-6-11(7-10)16(20)15-13(18)8-12(17)9-14(15)19/h3,5-9,16H,2,4,20H2,1H3
InChIKeyDDQOVNMDTMDENT-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(5-bromo-3-pyridinyl)-(3-propylphenyl)methanamine
CID 116544831
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542467
(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
CID 116545102
1-(3-propylphenyl)ethanamine
CID 116543909
(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542464
(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine
CID 105187860
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine (CID 105050580) is (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2c(F)cc(Br)cc2F)c1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine?
The InChIKey is DDQOVNMDTMDENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-2-4-10-5-3-6-11(7-10)16(20)15-13(18)8-12(17)9-14(15)19/h3,5-9,16H,2,4,20H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(3-propylphenyl)methanamine has a molecular weight of 340.21 g/mol, XLogP of 4.73, 4 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)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).