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

C16H16BrF2NO — CID 107693014

IUPAC1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2cccc(F)c2Br)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(20)7-11-5-6-15(14(19)8-11)21-9-12-3-2-4-13(18)16(12)17/h2-6,8,10H,7,9,20H2,1H3
InChIKeyJVXOPCGVXRLASR-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.20
Rot. Bonds5

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

1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine (PubChem CID 107693014) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
PubChem CID107693014
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2cccc(F)c2Br)c(F)c1
InChIInChI=1S/C16H16BrF2NO/c1-10(20)7-11-5-6-15(14(19)8-11)21-9-12-3-2-4-13(18)16(12)17/h2-6,8,10H,7,9,20H2,1H3
InChIKeyJVXOPCGVXRLASR-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690498
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 107693096
1-[3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63422291
1-[3-fluoro-4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692926
1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985
1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
CID 107693106
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine (CID 107693014) is 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine is CC(N)Cc1ccc(OCc2cccc(F)c2Br)c(F)c1.
What is the InChIKey of 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
The InChIKey is JVXOPCGVXRLASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-10(20)7-11-5-6-15(14(19)8-11)21-9-12-3-2-4-13(18)16(12)17/h2-6,8,10H,7,9,20H2,1H3.
What are the key properties of 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine?
1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-bromo-3-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107693014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).