N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine

C16H28N2O — CID 54999518

IUPACN'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)CC(N)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-5-14(3)18(9-10-19-4)12-16(17)15-8-6-7-13(2)11-15/h6-8,11,14,16H,5,9-10,12,17H2,1-4H3
InChIKeyFICHWRGUCLWXOO-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.74
Rot. Bonds8

About N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine

N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 54999518) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID54999518
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)CC(N)c1cccc(C)c1
InChIInChI=1S/C16H28N2O/c1-5-14(3)18(9-10-19-4)12-16(17)15-8-6-7-13(2)11-15/h6-8,11,14,16H,5,9-10,12,17H2,1-4H3
InChIKeyFICHWRGUCLWXOO-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308741
1-(3-methylphenyl)-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55002353
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79040475
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
N'-ethyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61311067
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291231
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile
CID 84756973
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
N'-methyl-1-(3-methylphenyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62628722

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine (CID 54999518) is N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine is CCC(C)N(CCOC)CC(N)c1cccc(C)c1.
What is the InChIKey of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is FICHWRGUCLWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-14(3)18(9-10-19-4)12-16(17)15-8-6-7-13(2)11-15/h6-8,11,14,16H,5,9-10,12,17H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54999518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).