N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C16H28N2 — CID 62634705

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(C)NCCN(C)C(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-12(2)18(6)10-9-17-15(5)16-8-7-13(3)11-14(16)4/h7-8,11-12,15,17H,9-10H2,1-6H3
InChIKeyZNYFWGQZRIECQW-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.29
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62634705) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62634705
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(C)NCCN(C)C(C)C)c(C)c1
InChIInChI=1S/C16H28N2/c1-12(2)18(6)10-9-17-15(5)16-8-7-13(3)11-14(16)4/h7-8,11-12,15,17H,9-10H2,1-6H3
InChIKeyZNYFWGQZRIECQW-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
N-[1-(2,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635920
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
2-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,4-diol
CID 55097894
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097419
2-[1-(2,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901862

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62634705) is N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is Cc1ccc(C(C)NCCN(C)C(C)C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is ZNYFWGQZRIECQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)18(6)10-9-17-15(5)16-8-7-13(3)11-14(16)4/h7-8,11-12,15,17H,9-10H2,1-6H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62634705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).