5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline

C15H18BrN3 — CID 79712982

IUPAC5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccncc1)Cc1ccc(Br)cc1N
InChIInChI=1S/C15H18BrN3/c1-2-19(10-12-5-7-18-8-6-12)11-13-3-4-14(16)9-15(13)17/h3-9H,2,10-11,17H2,1H3
InChIKeySKUCZFWHMXXRLI-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.45
Rot. Bonds5

About 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline

5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline (PubChem CID 79712982) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
PubChem CID79712982
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccncc1)Cc1ccc(Br)cc1N
InChIInChI=1S/C15H18BrN3/c1-2-19(10-12-5-7-18-8-6-12)11-13-3-4-14(16)9-15(13)17/h3-9H,2,10-11,17H2,1H3
InChIKeySKUCZFWHMXXRLI-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79583108
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
3-[(2-amino-4-bromophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 114380423
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
3-[[(4-bromo-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 43459143
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-5-fluorobenzoic acid
CID 63289162
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
5-bromo-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79712980
3-amino-4-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 82165856
6-[[ethyl(pyridin-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 79242738
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The IUPAC name of 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline (CID 79712982) is 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline is CCN(Cc1ccncc1)Cc1ccc(Br)cc1N.
What is the InChIKey of 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
The InChIKey is SKUCZFWHMXXRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-2-19(10-12-5-7-18-8-6-12)11-13-3-4-14(16)9-15(13)17/h3-9H,2,10-11,17H2,1H3.
What are the key properties of 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline?
5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline has a molecular weight of 320.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 79712982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).