2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine

C17H19BrFNO — CID 62531224

IUPAC2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2ccccc2F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-21-17-7-6-12(10-15(17)18)8-13(11-20)9-14-4-2-3-5-16(14)19/h2-7,10,13H,8-9,11,20H2,1H3
InChIKeyKZLFAQAWIARTAZ-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.96
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine

2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine (PubChem CID 62531224) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
PubChem CID62531224
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)Cc2ccccc2F)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-21-17-7-6-12(10-15(17)18)8-13(11-20)9-14-4-2-3-5-16(14)19/h2-7,10,13H,8-9,11,20H2,1H3
InChIKeyKZLFAQAWIARTAZ-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130
2-[(4-bromophenyl)methyl]-3-(2-fluoro-3-methoxyphenyl)propan-1-amine
CID 104794595
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616
3-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 79449548
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
1-(3-bromo-4-methoxyphenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115818090
2-bromo-4-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-1-methoxybenzene
CID 66035027
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 115984180
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine (CID 62531224) is 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine is COc1ccc(CC(CN)Cc2ccccc2F)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The InChIKey is KZLFAQAWIARTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-21-17-7-6-12(10-15(17)18)8-13(11-20)9-14-4-2-3-5-16(14)19/h2-7,10,13H,8-9,11,20H2,1H3.
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine has a molecular weight of 352.25 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62531224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).