N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine

C16H25BrN2 — CID 63504280

IUPACN-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)CCNc1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-13-6-3-4-9-16(13)19(2)11-10-18-15-8-5-7-14(17)12-15/h5,7-8,12-13,16,18H,3-4,6,9-11H2,1-2H3
InChIKeyGNDMQUANHLMMNQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.37
Rot. Bonds5

About N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine

N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63504280) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63504280
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)CCNc1cccc(Br)c1
InChIInChI=1S/C16H25BrN2/c1-13-6-3-4-9-16(13)19(2)11-10-18-15-8-5-7-14(17)12-15/h5,7-8,12-13,16,18H,3-4,6,9-11H2,1-2H3
InChIKeyGNDMQUANHLMMNQ-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63503941
1-(3-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617811
N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62559074
N-(3-bromophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666233
N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504087
N-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754893
N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 55196446
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 113423561
3-bromo-N-[2-(4,4-dimethylcyclohexyl)oxyethyl]aniline
CID 114342544
N'-methyl-N-(2-methylbutan-2-yl)-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62558034
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine (CID 63504280) is N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine is CC1CCCCC1N(C)CCNc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is GNDMQUANHLMMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13-6-3-4-9-16(13)19(2)11-10-18-15-8-5-7-14(17)12-15/h5,7-8,12-13,16,18H,3-4,6,9-11H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine?
N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 325.29 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63504280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).