N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C16H20BrN3 — CID 26764

IUPACN'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C16H20BrN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
InChIKeyHMNAUVJMDBFVAJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.41
Rot. Bonds6

About N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 26764) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID26764
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C16H20BrN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
InChIKeyHMNAUVJMDBFVAJ-UHFFFAOYSA-N
XLogP3.41
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Zimelidine
CID 5365247
Tripelennamine Hydrochloride
CID 9066
Chloropyramine
CID 25295
Zimelidine Dihydrochloride
CID 6436006
Zimeldine hydrochloride
CID 6420041
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
(2E)-3-(4-Bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine
CID 5458656
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
PETT deriv. 6
CID 492697
Thiourea, N-(3-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 3001118
1-(3-Phenylpropyl)-4-(2-pyridinyl)piperazine
CID 667735

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 26764) is N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is CN(C)CCN(Cc1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is HMNAUVJMDBFVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 334.26 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 26764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).