1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine

C14H13BrClFN2 — CID 112655591

IUPAC1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C14H13BrClFN2/c1-18-14(6-9-4-5-19-8-13(9)16)11-7-10(17)2-3-12(11)15/h2-5,7-8,14,18H,6H2,1H3
InChIKeyKXHQHKCXVCYBHS-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.14
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine

1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine (PubChem CID 112655591) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
PubChem CID112655591
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1cc(F)ccc1Br
InChIInChI=1S/C14H13BrClFN2/c1-18-14(6-9-4-5-19-8-13(9)16)11-7-10(17)2-3-12(11)15/h2-5,7-8,14,18H,6H2,1H3
InChIKeyKXHQHKCXVCYBHS-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-bromo-5-fluorophenyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 107923831
1-(2-bromo-5-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032368
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106854830
2-(3-chloro-4-pyridinyl)-1-(2,6-dichlorophenyl)-N-methylethanamine
CID 112655560
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
2-(2-bromo-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 115843490
2-(3-chloro-4-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 112655632
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 107992572
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 115843072
1-(4-bromothiophen-3-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 79595107
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine (CID 112655591) is 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine is CNC(Cc1ccncc1Cl)c1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
The InChIKey is KXHQHKCXVCYBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-18-14(6-9-4-5-19-8-13(9)16)11-7-10(17)2-3-12(11)15/h2-5,7-8,14,18H,6H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine?
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine has a molecular weight of 343.63 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 112655591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).