N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

C17H27BrN2 — CID 63503276

IUPACN'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H27BrN2/c1-14-3-9-17(10-4-14)19-11-12-20(2)13-15-5-7-16(18)8-6-15/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyWKWNLACCQWOBHG-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.05
Rot. Bonds6

About N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63503276) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63503276
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(NCCN(C)Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H27BrN2/c1-14-3-9-17(10-4-14)19-11-12-20(2)13-15-5-7-16(18)8-6-15/h5-8,14,17,19H,3-4,9-13H2,1-2H3
InChIKeyWKWNLACCQWOBHG-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-bromophenyl)methyl]-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63502762
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
N-cyclohexyl-N'-methyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 62573288
N-cyclopropyl-N'-methyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine
CID 104670235
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62556390
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486
N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560432
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 63503276) is N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is CC1CCC(NCCN(C)Cc2ccc(Br)cc2)CC1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is WKWNLACCQWOBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-14-3-9-17(10-4-14)19-11-12-20(2)13-15-5-7-16(18)8-6-15/h5-8,14,17,19H,3-4,9-13H2,1-2H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 339.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63503276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).