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

C16H17BrFNO — CID 62601198

IUPAC1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C16H17BrFNO/c1-20-15-4-2-3-11(8-15)7-14(19)10-12-9-13(18)5-6-16(12)17/h2-6,8-9,14H,7,10,19H2,1H3
InChIKeyMYBAQDHTLBMAGC-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.71
Rot. Bonds5

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

1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 62601198) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
PubChem CID62601198
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2cc(F)ccc2Br)c1
InChIInChI=1S/C16H17BrFNO/c1-20-15-4-2-3-11(8-15)7-14(19)10-12-9-13(18)5-6-16(12)17/h2-6,8-9,14H,7,10,19H2,1H3
InChIKeyMYBAQDHTLBMAGC-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 105373754
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 62602168
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
CID 55224466
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(3-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261796
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine (CID 62601198) is 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine is COc1cccc(CC(N)Cc2cc(F)ccc2Br)c1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is MYBAQDHTLBMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-20-15-4-2-3-11(8-15)7-14(19)10-12-9-13(18)5-6-16(12)17/h2-6,8-9,14H,7,10,19H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine?
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 338.22 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 62601198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).