2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol

C15H26N2O — CID 82313474

IUPAC2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCCN(C)C)c(C)c1
InChIInChI=1S/C15H26N2O/c1-11-6-7-14(12(2)10-11)15(18)13(3)16-8-9-17(4)5/h6-7,10,13,15-16,18H,8-9H2,1-5H3
InChIKeyOVKUQMTYWDEDHB-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.88
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol

2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol (PubChem CID 82313474) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
PubChem CID82313474
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)NCCN(C)C)c(C)c1
InChIInChI=1S/C15H26N2O/c1-11-6-7-14(12(2)10-11)15(18)13(3)16-8-9-17(4)5/h6-7,10,13,15-16,18H,8-9H2,1-5H3
InChIKeyOVKUQMTYWDEDHB-UHFFFAOYSA-N
XLogP1.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313434
1-(2,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 82313439
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetic acid
CID 54895272
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
N-[1-(2,4-dimethylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634705
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312515
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 82313534
(1R,2S)-1-(2,4-dimethylphenyl)-2-nitropropan-1-ol
CID 101455721
3-[2-(dimethylamino)ethylamino]-4-(2,4-dimethylphenyl)butanoic acid
CID 82350617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol (CID 82313474) is 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)NCCN(C)C)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol?
The InChIKey is OVKUQMTYWDEDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-6-7-14(12(2)10-11)15(18)13(3)16-8-9-17(4)5/h6-7,10,13,15-16,18H,8-9H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol?
2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-1-(2,4-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 82313474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).