2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol

C17H29NO — CID 103904636

IUPAC2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-17(7-2,12-19)11-18-15(5)16-9-8-13(3)14(4)10-16/h8-10,15,18-19H,6-7,11-12H2,1-5H3
InChIKeyAJZMDUVOAZJHGO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.75
Rot. Bonds7

About 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol

2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 103904636) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
PubChem CID103904636
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-17(7-2,12-19)11-18-15(5)16-9-8-13(3)14(4)10-16/h8-10,15,18-19H,6-7,11-12H2,1-5H3
InChIKeyAJZMDUVOAZJHGO-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419089
N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
CID 81399857
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
2-[[1-(2,5-difluoro-4-methylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 106251865
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845638
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol (CID 103904636) is 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is AJZMDUVOAZJHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(7-2,12-19)11-18-15(5)16-9-8-13(3)14(4)10-16/h8-10,15,18-19H,6-7,11-12H2,1-5H3.
What are the key properties of 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol?
2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 103904636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).