2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol

C15H25NO — CID 81411904

IUPAC2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-4-15(5-2,12-17)11-16-10-14-8-6-13(3)7-9-14/h6-9,16-17H,4-5,10-12H2,1-3H3
InChIKeyZALVNYSYDMAFNM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds7

About 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol (PubChem CID 81411904) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
PubChem CID81411904
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-4-15(5-2,12-17)11-16-10-14-8-6-13(3)7-9-14/h6-9,16-17H,4-5,10-12H2,1-3H3
InChIKeyZALVNYSYDMAFNM-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[[4-(methoxymethyl)phenyl]methylamino]methyl]butan-1-ol
CID 103845594
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845638
2-ethyl-2-[[(4-methylsulfonylphenyl)methylamino]methyl]butan-1-ol
CID 81419238
2-ethyl-2-[[(4-nitrophenyl)methylamino]methyl]butan-1-ol
CID 81418493
2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256109
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251907
2-ethyl-2-[[(2,4,5-trimethylphenyl)methylamino]methyl]butan-1-ol
CID 103845601
2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
CID 81418952
5-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-2-fluorobenzonitrile
CID 106251658
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
CID 81419845
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol (CID 81411904) is 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCc1ccc(C)cc1.
What is the InChIKey of 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol?
The InChIKey is ZALVNYSYDMAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-15(5-2,12-17)11-16-10-14-8-6-13(3)7-9-14/h6-9,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 81411904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).