N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

C14H24N2 — CID 16776740

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(C(C)NCCN(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-6-7-14(12(2)10-11)13(3)15-8-9-16(4)5/h6-7,10,13,15H,8-9H2,1-5H3
InChIKeyRWBZEMKCUWTUDJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 16776740) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID16776740
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(C(C)NCCN(C)C)c(C)c1
InChIInChI=1S/C14H24N2/c1-11-6-7-14(12(2)10-11)13(3)15-8-9-16(4)5/h6-7,10,13,15H,8-9H2,1-5H3
InChIKeyRWBZEMKCUWTUDJ-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
CID 82313474
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
CID 54895272
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969
N',N'-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]ethane-1,2-diamine
CID 81361227
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[1-(2,4-dibromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60781144
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 16776740) is N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine is Cc1ccc(C(C)NCCN(C)C)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is RWBZEMKCUWTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-6-7-14(12(2)10-11)13(3)15-8-9-16(4)5/h6-7,10,13,15H,8-9H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.52, 5 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',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 16776740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).