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

C17H23BrClN3 — CID 3024399

IUPACN'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCC(c1ccc(Br)cc1)N(CCN(C)C)c1ccccn1.Cl
InChIInChI=1S/C17H22BrN3.ClH/c1-14(15-7-9-16(18)10-8-15)21(13-12-20(2)3)17-6-4-5-11-19-17;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyYPQYRDWFKSECRB-UHFFFAOYSA-N
MW384.75 g/mol
LogP4.40
Rot. Bonds6

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

N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride (PubChem CID 3024399) has the molecular formula C17H23BrClN3 and a molecular weight of 384.75 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
PubChem CID3024399
Molecular FormulaC17H23BrClN3
Molecular Weight384.75 g/mol
Exact Mass383.08
IUPAC NameN'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride
SMILESCC(c1ccc(Br)cc1)N(CCN(C)C)c1ccccn1.Cl
InChIInChI=1S/C17H22BrN3.ClH/c1-14(15-7-9-16(18)10-8-15)21(13-12-20(2)3)17-6-4-5-11-19-17;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyYPQYRDWFKSECRB-UHFFFAOYSA-N
XLogP4.40
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride (CID 3024399) is N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride is CC(c1ccc(Br)cc1)N(CCN(C)C)c1ccccn1.Cl.
What is the InChIKey of N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
The InChIKey is YPQYRDWFKSECRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3.ClH/c1-14(15-7-9-16(18)10-8-15)21(13-12-20(2)3)17-6-4-5-11-19-17;/h4-11,14H,12-13H2,1-3H3;1H.
What are the key properties of N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride?
N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride has a molecular weight of 384.75 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 3024399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).