2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine

C16H16BrClFN — CID 103049610

IUPAC2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H16BrClFN/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2
InChIKeyBZLNOCKMGQGYBM-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.60
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine

2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine (PubChem CID 103049610) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
PubChem CID103049610
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C16H16BrClFN/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2
InChIKeyBZLNOCKMGQGYBM-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-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
CID 65318331
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496159
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine (CID 103049610) is 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine is NCC(Cc1cccc(Br)c1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine?
The InChIKey is BZLNOCKMGQGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine?
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)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-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 103049610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).