2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride

C16H21BrClN3 — CID 26763

IUPAC2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCN(Cc1ccc(Br)cc1)c1ccccn1.[Cl-]
InChIInChI=1S/C16H20BrN3.ClH/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;1H
InChIKeyZQJUQBSXMSRMMB-UHFFFAOYSA-N
MW370.72 g/mol
LogP-1.00
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride

2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride (PubChem CID 26763) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride
PubChem CID26763
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC Name2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCN(Cc1ccc(Br)cc1)c1ccccn1.[Cl-]
InChIInChI=1S/C16H20BrN3.ClH/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;1H
InChIKeyZQJUQBSXMSRMMB-UHFFFAOYSA-N
XLogP-1.00
TPSA20.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Nomelidine
CID 5378630
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2,6-difluorophenyl)ethyl)-
CID 3001078
Norzimelidine
CID 6437872
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
1-(5-bromopyridin-2-yl)-3-[(1R,2R)-2-phenylcyclopropyl]thiourea
CID 3003667
HI-240
CID 3001767
N-[2-(3-Fluorophenethyl)]-N'-[2-(5-bromopyridyl)]-thiourea
CID 3001770
1-(5-Bromopyridin-2-yl)-3-[2-(cyclohexen-1-yl)ethyl]thiourea
CID 3002105

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride (CID 26763) is 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride is C[NH+](C)CCN(Cc1ccc(Br)cc1)c1ccccn1.[Cl-].
What is the InChIKey of 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride?
The InChIKey is ZQJUQBSXMSRMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3.ClH/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;1H.
What are the key properties of 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride?
2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride has a molecular weight of 370.72 g/mol, XLogP of -1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-pyridin-2-ylamino]ethyl-dimethylazanium chloride is sourced from PubChem (CID 26763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).