N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine

C14H22Br2N2 — CID 114369376

IUPACN-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)Cc1cc(Br)ccc1Br
InChIInChI=1S/C14H22Br2N2/c1-14(2,3)17-7-8-18(4)10-11-9-12(15)5-6-13(11)16/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyGUOCQGFTNANCSQ-UHFFFAOYSA-N
MW378.15 g/mol
LogP4.03
Rot. Bonds5

About N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine

N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 114369376) has the molecular formula C14H22Br2N2 and a molecular weight of 378.15 g/mol. Its IUPAC name is N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID114369376
Molecular FormulaC14H22Br2N2
Molecular Weight378.15 g/mol
Exact Mass376.01
IUPAC NameN-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)Cc1cc(Br)ccc1Br
InChIInChI=1S/C14H22Br2N2/c1-14(2,3)17-7-8-18(4)10-11-9-12(15)5-6-13(11)16/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeyGUOCQGFTNANCSQ-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.15
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-N-methylbenzylamine
CID 522360
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
Benzenemethanamine, 3-bromo-N-propyl-
CID 457590
Benzenemethanamine, 3-bromo-N-butyl-
CID 457591
Benzenemethanamine, 2-bromo-N-ethyl-
CID 485401
Benzenemethanamine, 2-bromo-N-butyl-
CID 485402
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 18499
1-(3-Bromobenzyl)piperazine
CID 876852
(3-Bromo-benzyl)-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10085970

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine (CID 114369376) is N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNC(C)(C)C)Cc1cc(Br)ccc1Br.
What is the InChIKey of N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is GUOCQGFTNANCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2/c1-14(2,3)17-7-8-18(4)10-11-9-12(15)5-6-13(11)16/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 378.15 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(2,5-dibromophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 114369376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).