1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

C17H21BrN2 — CID 105089943

IUPAC1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1cccc(Br)c1
InChIInChI=1S/C17H21BrN2/c1-2-20-17(9-8-14-6-4-10-19-13-14)12-15-5-3-7-16(18)11-15/h3-7,10-11,13,17,20H,2,8-9,12H2,1H3
InChIKeyYJRGDYHBPRJVBB-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.00
Rot. Bonds7

About 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine

1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (PubChem CID 105089943) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
PubChem CID105089943
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
SMILESCCNC(CCc1cccnc1)Cc1cccc(Br)c1
InChIInChI=1S/C17H21BrN2/c1-2-20-17(9-8-14-6-4-10-19-13-14)12-15-5-3-7-16(18)11-15/h3-7,10-11,13,17,20H,2,8-9,12H2,1H3
InChIKeyYJRGDYHBPRJVBB-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105139608
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine (CID 105089943) is 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine is CCNC(CCc1cccnc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
The InChIKey is YJRGDYHBPRJVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-2-20-17(9-8-14-6-4-10-19-13-14)12-15-5-3-7-16(18)11-15/h3-7,10-11,13,17,20H,2,8-9,12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine?
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine has a molecular weight of 333.27 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105089943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).