(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine

C15H16BrFN2 — CID 82964366

IUPAC(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(N[C@@H](C)c1cccnc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H16BrFN2/c1-10(12-4-3-7-18-9-12)19-11(2)14-6-5-13(16)8-15(14)17/h3-11,19H,1-2H3/t10-,11?/m0/s1
InChIKeyKDJFZVMPSPOKMV-VUWPPUDQSA-N
MW323.21 g/mol
LogP4.39
Rot. Bonds4

About (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine

(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 82964366) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID82964366
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
SMILESCC(N[C@@H](C)c1cccnc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H16BrFN2/c1-10(12-4-3-7-18-9-12)19-11(2)14-6-5-13(16)8-15(14)17/h3-11,19H,1-2H3/t10-,11?/m0/s1
InChIKeyKDJFZVMPSPOKMV-VUWPPUDQSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
1-(3-bromo-4-fluorophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768152
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine (CID 82964366) is (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine is CC(N[C@@H](C)c1cccnc1)c1ccc(Br)cc1F.
What is the InChIKey of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is KDJFZVMPSPOKMV-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10(12-4-3-7-18-9-12)19-11(2)14-6-5-13(16)8-15(14)17/h3-11,19H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine?
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 323.21 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 82964366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).