N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

C14H13BrClFN2 — CID 105038084

IUPACN-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H13BrClFN2/c1-2-19-14(11-5-6-18-8-13(11)17)10-4-3-9(15)7-12(10)16/h3-8,14,19H,2H2,1H3
InChIKeyOEPMYXVSZHWHOY-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.34
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine

N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (PubChem CID 105038084) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
PubChem CID105038084
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccncc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H13BrClFN2/c1-2-19-14(11-5-6-18-8-13(11)17)10-4-3-9(15)7-12(10)16/h3-8,14,19H,2H2,1H3
InChIKeyOEPMYXVSZHWHOY-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(4-bromo-2,6-difluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038311
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43805282
N-[(4-bromo-2-chlorophenyl)-(3-bromo-4-fluorophenyl)methyl]ethanamine
CID 79747518
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(2,4-dichlorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006477
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(4-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114906523
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine (CID 105038084) is N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is CCNC(c1ccncc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
The InChIKey is OEPMYXVSZHWHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-2-19-14(11-5-6-18-8-13(11)17)10-4-3-9(15)7-12(10)16/h3-8,14,19H,2H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine?
N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine has a molecular weight of 343.63 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105038084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).