1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine

C16H26BrN3 — CID 83010618

IUPAC1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)NN2C(C)CCCC2C)ccc1Br
InChIInChI=1S/C16H26BrN3/c1-11-9-14(7-8-15(11)17)16(10-18)19-20-12(2)5-4-6-13(20)3/h7-9,12-13,16,19H,4-6,10,18H2,1-3H3
InChIKeyWVIHEUXGVNVOGS-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine

1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine (PubChem CID 83010618) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
PubChem CID83010618
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)NN2C(C)CCCC2C)ccc1Br
InChIInChI=1S/C16H26BrN3/c1-11-9-14(7-8-15(11)17)16(10-18)19-20-12(2)5-4-6-13(20)3/h7-9,12-13,16,19H,4-6,10,18H2,1-3H3
InChIKeyWVIHEUXGVNVOGS-UHFFFAOYSA-N
XLogP3.52
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011963
1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
CID 66475041
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
2-(4-bromo-3-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188495
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474433
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
1-(2,3-difluorophenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine
CID 83011438
4-[[2-amino-1-(4-bromo-3-methylphenyl)ethyl]amino]pentan-2-ol
CID 113376154
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine (CID 83010618) is 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine is Cc1cc(C(CN)NN2C(C)CCCC2C)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
The InChIKey is WVIHEUXGVNVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-11-9-14(7-8-15(11)17)16(10-18)19-20-12(2)5-4-6-13(20)3/h7-9,12-13,16,19H,4-6,10,18H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine?
1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine has a molecular weight of 340.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-(2,6-dimethylpiperidin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83010618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).