1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine

C14H13BrClFN2 — CID 104801933

IUPAC1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
SMILESNC(Cc1cncc(Br)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H13BrClFN2/c15-11-3-9(7-19-8-11)4-13(18)5-10-1-2-12(17)6-14(10)16/h1-3,6-8,13H,4-5,18H2
InChIKeyBHKVWAWMXSZLPV-UHFFFAOYSA-N
MW343.63 g/mol
LogP3.75
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine

1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine (PubChem CID 104801933) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
PubChem CID104801933
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
SMILESNC(Cc1cncc(Br)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H13BrClFN2/c15-11-3-9(7-19-8-11)4-13(18)5-10-1-2-12(17)6-14(10)16/h1-3,6-8,13H,4-5,18H2
InChIKeyBHKVWAWMXSZLPV-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-amine
CID 62603337
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 104801584
1-(2-bromophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 55118420
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
1-(3-bromophenyl)-3-(2-chloro-5-fluorophenyl)propan-2-amine
CID 102618465
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 63890430
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 66425660
3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine
CID 113456105

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine (CID 104801933) is 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine is NC(Cc1cncc(Br)c1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
The InChIKey is BHKVWAWMXSZLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c15-11-3-9(7-19-8-11)4-13(18)5-10-1-2-12(17)6-14(10)16/h1-3,6-8,13H,4-5,18H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine?
1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine has a molecular weight of 343.63 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 104801933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).