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

C16H16BrClFN — CID 115984179

IUPAC2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Br)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16BrClFN/c17-14-6-2-1-4-12(14)8-11(10-20)9-13-5-3-7-15(19)16(13)18/h1-7,11H,8-10,20H2
InChIKeyOPWOFWPDJNJVDP-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.60
Rot. Bonds5

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

2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine (PubChem CID 115984179) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
PubChem CID115984179
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1Br)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16BrClFN/c17-14-6-2-1-4-12(14)8-11(10-20)9-13-5-3-7-15(19)16(13)18/h1-7,11H,8-10,20H2
InChIKeyOPWOFWPDJNJVDP-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-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 115984180
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
1-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984618
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107954306
2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine (CID 115984179) is 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine is NCC(Cc1ccccc1Br)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine?
The InChIKey is OPWOFWPDJNJVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c17-14-6-2-1-4-12(14)8-11(10-20)9-13-5-3-7-15(19)16(13)18/h1-7,11H,8-10,20H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine?
2-[(2-bromophenyl)methyl]-3-(2-chloro-3-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-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 115984179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).