1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine

C15H13BrClF2N — CID 106761671

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H13BrClF2N/c1-2-15(20,9-5-3-4-6-12(9)18)10-7-8-11(16)13(17)14(10)19/h3-8H,2,20H2,1H3
InChIKeyDOXSCPRHNJUCIT-UHFFFAOYSA-N
MW360.63 g/mol
LogP4.99
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 106761671) has the molecular formula C15H13BrClF2N and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID106761671
Molecular FormulaC15H13BrClF2N
Molecular Weight360.63 g/mol
Exact Mass358.99
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(N)(c1ccccc1F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H13BrClF2N/c1-2-15(20,9-5-3-4-6-12(9)18)10-7-8-11(16)13(17)14(10)19/h3-8H,2,20H2,1H3
InChIKeyDOXSCPRHNJUCIT-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.63
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine
CID 106644707
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414
2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
CID 106761419
1-(2-fluorophenyl)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 115996402
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
CID 106761585
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 106761676
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830
1-(2-chlorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 60797963
1-bromo-2-chloro-4-(4-chloro-2-methylpentan-2-yl)-3-fluorobenzene
CID 106763531
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine (CID 106761671) is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine is CCC(N)(c1ccccc1F)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is DOXSCPRHNJUCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2N/c1-2-15(20,9-5-3-4-6-12(9)18)10-7-8-11(16)13(17)14(10)19/h3-8H,2,20H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine?
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 360.63 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 106761671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).