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

C16H16BrF2NO — CID 105036008

IUPAC(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H16BrF2NO/c1-2-7-21-14-6-4-3-5-11(14)16(20)15-12(18)8-10(17)9-13(15)19/h3-6,8-9,16H,2,7,20H2,1H3
InChIKeyDTBWSSSHPWTUBE-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.56
Rot. Bonds5

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

(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine (PubChem CID 105036008) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
PubChem CID105036008
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H16BrF2NO/c1-2-7-21-14-6-4-3-5-11(14)16(20)15-12(18)8-10(17)9-13(15)19/h3-6,8-9,16H,2,7,20H2,1H3
InChIKeyDTBWSSSHPWTUBE-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
(5-bromo-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 114894620
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035368

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine (CID 105036008) is (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine?
The InChIKey is DTBWSSSHPWTUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-2-7-21-14-6-4-3-5-11(14)16(20)15-12(18)8-10(17)9-13(15)19/h3-6,8-9,16H,2,7,20H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine has a molecular weight of 356.21 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105036008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).