5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C15H18BrN3 — CID 43690592

IUPAC5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(Nc1ccc(N(C)C)nc1)c1ccccc1Br
InChIInChI=1S/C15H18BrN3/c1-11(13-6-4-5-7-14(13)16)18-12-8-9-15(17-10-12)19(2)3/h4-11,18H,1-3H3
InChIKeyVXTQZCKNURLMLE-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.08
Rot. Bonds4

About 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43690592) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43690592
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(Nc1ccc(N(C)C)nc1)c1ccccc1Br
InChIInChI=1S/C15H18BrN3/c1-11(13-6-4-5-7-14(13)16)18-12-8-9-15(17-10-12)19(2)3/h4-11,18H,1-3H3
InChIKeyVXTQZCKNURLMLE-UHFFFAOYSA-N
XLogP4.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 82963519
N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
CID 172883004
N-[1-(2-bromophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691613
2-N,2-N-diethyl-5-N-[1-(2-methylphenyl)ethyl]pyridine-2,5-diamine
CID 43697435
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
N-[1-(2-bromophenyl)ethyl]-4-propylaniline
CID 43097008
N-[1-(2-bromophenyl)ethyl]-4-butan-2-ylaniline
CID 43681132
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate
CID 43730312
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
2-N,2-N-dimethyl-5-N-(3-methylbutyl)pyridine-2,5-diamine
CID 43690493

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43690592) is 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is CC(Nc1ccc(N(C)C)nc1)c1ccccc1Br.
What is the InChIKey of 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is VXTQZCKNURLMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11(13-6-4-5-7-14(13)16)18-12-8-9-15(17-10-12)19(2)3/h4-11,18H,1-3H3.
What are the key properties of 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 320.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43690592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).