(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine

C14H14BrFN2O — CID 105026649

IUPAC(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-19-11-5-10(7-18-8-11)14(17)9-3-4-12(15)13(16)6-9/h3-8,14H,2,17H2,1H3
InChIKeyVMAMRUDLICIQRB-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.43
Rot. Bonds4

About (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine

(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine (PubChem CID 105026649) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
PubChem CID105026649
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C14H14BrFN2O/c1-2-19-11-5-10(7-18-8-11)14(17)9-3-4-12(15)13(16)6-9/h3-8,14H,2,17H2,1H3
InChIKeyVMAMRUDLICIQRB-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
(2-bromo-3,4-difluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107538741
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105026161
1-(4-bromo-3-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022189
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105175597
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine (CID 105026649) is (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine is CCOc1cncc(C(N)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine?
The InChIKey is VMAMRUDLICIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-19-11-5-10(7-18-8-11)14(17)9-3-4-12(15)13(16)6-9/h3-8,14H,2,17H2,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine?
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine has a molecular weight of 325.18 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).