1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine

C16H16BrClFNO — CID 63024382

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESCOc1ccc(Br)cc1CC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H16BrClFNO/c1-21-16-6-5-11(17)7-10(16)8-12(20)9-13-14(18)3-2-4-15(13)19/h2-7,12H,8-9,20H2,1H3
InChIKeyIPVATLZBZTVIOS-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.36
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine

1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine (PubChem CID 63024382) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
PubChem CID63024382
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
SMILESCOc1ccc(Br)cc1CC(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H16BrClFNO/c1-21-16-6-5-11(17)7-10(16)8-12(20)9-13-14(18)3-2-4-15(13)19/h2-7,12H,8-9,20H2,1H3
InChIKeyIPVATLZBZTVIOS-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
[1-(4-bromo-2-methoxyphenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105289117
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(4-bromothiophen-2-yl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 55145225
2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine (CID 63024382) is 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine is COc1ccc(Br)cc1CC(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
The InChIKey is IPVATLZBZTVIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-21-16-6-5-11(17)7-10(16)8-12(20)9-13-14(18)3-2-4-15(13)19/h2-7,12H,8-9,20H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine?
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine has a molecular weight of 372.67 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63024382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).