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

C18H24BrN3 — CID 3057332

IUPACN'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1ccccc1Br)c1ccccn1
InChIInChI=1S/C18H24BrN3/c1-3-21(4-2)13-14-22(18-11-7-8-12-20-18)15-16-9-5-6-10-17(16)19/h5-12H,3-4,13-15H2,1-2H3
InChIKeyYJGZDXJYHOXVGJ-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.19
Rot. Bonds8

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

N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 3057332) has the molecular formula C18H24BrN3 and a molecular weight of 362.31 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID3057332
Molecular FormulaC18H24BrN3
Molecular Weight362.31 g/mol
Exact Mass361.12
IUPAC NameN'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1ccccc1Br)c1ccccn1
InChIInChI=1S/C18H24BrN3/c1-3-21(4-2)13-14-22(18-11-7-8-12-20-18)15-16-9-5-6-10-17(16)19/h5-12H,3-4,13-15H2,1-2H3
InChIKeyYJGZDXJYHOXVGJ-UHFFFAOYSA-N
XLogP4.19
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.19
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
(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
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine
CID 754229
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine
CID 9797733
PETT deriv. 6
CID 492697
1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyridin-2-yl-piperazine
CID 10904165

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 3057332) is N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine is CCN(CC)CCN(Cc1ccccc1Br)c1ccccn1.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is YJGZDXJYHOXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3/c1-3-21(4-2)13-14-22(18-11-7-8-12-20-18)15-16-9-5-6-10-17(16)19/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 362.31 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 3057332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).