1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H16BrClFNO — CID 102858124

IUPAC1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCc2cccc(Cl)c2F)ccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-10(20)7-12-8-13(5-6-14(12)17)21-9-11-3-2-4-15(18)16(11)19/h2-6,8,10H,7,9,20H2,1H3
InChIKeyPVRJYTPKUMRWLW-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.71
Rot. Bonds5

About 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 102858124) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID102858124
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCc2cccc(Cl)c2F)ccc1Br
InChIInChI=1S/C16H16BrClFNO/c1-10(20)7-12-8-13(5-6-14(12)17)21-9-11-3-2-4-15(18)16(11)19/h2-6,8,10H,7,9,20H2,1H3
InChIKeyPVRJYTPKUMRWLW-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718903
1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 82915380
1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102858107
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114188
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 102858124) is 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cc(OCc2cccc(Cl)c2F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is PVRJYTPKUMRWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-10(20)7-12-8-13(5-6-14(12)17)21-9-11-3-2-4-15(18)16(11)19/h2-6,8,10H,7,9,20H2,1H3.
What are the key properties of 1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 372.67 g/mol, XLogP of 4.71, 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-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 102858124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).