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

C16H27NO — CID 103845638

IUPAC2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,12-18)11-17-10-15-8-7-13(3)14(4)9-15/h7-9,17-18H,5-6,10-12H2,1-4H3
InChIKeySQDKJECIDLIPNP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.19
Rot. Bonds7

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

2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 103845638) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID103845638
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C16H27NO/c1-5-16(6-2,12-18)11-17-10-15-8-7-13(3)14(4)9-15/h7-9,17-18H,5-6,10-12H2,1-4H3
InChIKeySQDKJECIDLIPNP-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
CID 81411904
2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
CID 103845601
2-[(3,4-dimethylphenyl)methyl]-2-ethylpropane-1,3-diol
CID 79450388
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251907
2-ethyl-2-[[[4-(methoxymethyl)phenyl]methylamino]methyl]butan-1-ol
CID 103845594
5-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-2-fluorobenzonitrile
CID 106251658
2-ethyl-2-[[(4-methylsulfonylphenyl)methylamino]methyl]butan-1-ol
CID 81419238
2-[[(4-bromo-3-nitrophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845622
2-ethyl-2-[[(4-nitrophenyl)methylamino]methyl]butan-1-ol
CID 81418493
2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
CID 81418952
N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664551
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
CID 81419845

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol (CID 103845638) is 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCc1ccc(C)c(C)c1.
What is the InChIKey of 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is SQDKJECIDLIPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-16(6-2,12-18)11-17-10-15-8-7-13(3)14(4)9-15/h7-9,17-18H,5-6,10-12H2,1-4H3.
What are the key properties of 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol?
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 103845638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).