2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine

C16H16BrClFN — CID 63496159

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrClFN/c17-16-5-4-15(19)9-13(16)7-12(10-20)6-11-2-1-3-14(18)8-11/h1-5,8-9,12H,6-7,10,20H2
InChIKeyRVWPIWRLEURKIP-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.60
Rot. Bonds5

About 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine

2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine (PubChem CID 63496159) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
PubChem CID63496159
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)Cc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrClFN/c17-16-5-4-15(19)9-13(16)7-12(10-20)6-11-2-1-3-14(18)8-11/h1-5,8-9,12H,6-7,10,20H2
InChIKeyRVWPIWRLEURKIP-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
CID 65318331
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,3-difluorobenzene
CID 66042525
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
1-(3-bromo-2,6-difluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 106942201
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
2-[(2-bromo-4-fluorophenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62529583
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
1-[1-bromo-2-(3-chlorophenyl)ethyl]-4-fluorobenzene
CID 55198173

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine (CID 63496159) is 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine is NCC(Cc1cccc(Cl)c1)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
The InChIKey is RVWPIWRLEURKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c17-16-5-4-15(19)9-13(16)7-12(10-20)6-11-2-1-3-14(18)8-11/h1-5,8-9,12H,6-7,10,20H2.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine has a molecular weight of 356.67 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 63496159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).