1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

C17H21BrN2O — CID 66446581

IUPAC1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccc(OC)c(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C17H21BrN2O/c1-4-20-17(12(2)13-7-9-19-10-8-13)14-5-6-16(21-3)15(18)11-14/h5-12,17,20H,4H2,1-3H3
InChIKeyCKUKUAXRRPGIFM-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.31
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66446581) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66446581
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccc(OC)c(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C17H21BrN2O/c1-4-20-17(12(2)13-7-9-19-10-8-13)14-5-6-16(21-3)15(18)11-14/h5-12,17,20H,4H2,1-3H3
InChIKeyCKUKUAXRRPGIFM-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 107955410
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
CID 66459760
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984917
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 61314643
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
1-(5-bromo-2-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446193
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 106854815
1-(3-bromo-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459542

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (CID 66446581) is 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is CCNC(c1ccc(OC)c(Br)c1)C(C)c1ccncc1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is CKUKUAXRRPGIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-4-20-17(12(2)13-7-9-19-10-8-13)14-5-6-16(21-3)15(18)11-14/h5-12,17,20H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 349.27 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66446581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).