2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol

C15H25NO — CID 103828079

IUPAC2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
SMILESCCc1ccc(CNCC(C)(CC)CO)cc1
InChIInChI=1S/C15H25NO/c1-4-13-6-8-14(9-7-13)10-16-11-15(3,5-2)12-17/h6-9,16-17H,4-5,10-12H2,1-3H3
InChIKeyIPPUWBFMSDWWAG-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds7

About 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol

2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol (PubChem CID 103828079) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
PubChem CID103828079
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
SMILESCCc1ccc(CNCC(C)(CC)CO)cc1
InChIInChI=1S/C15H25NO/c1-4-13-6-8-14(9-7-13)10-16-11-15(3,5-2)12-17/h6-9,16-17H,4-5,10-12H2,1-3H3
InChIKeyIPPUWBFMSDWWAG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
CID 81412116
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222199
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81418951
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
CID 81411904
2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
CID 81419018
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
2-ethyl-2-[[[4-(methoxymethyl)phenyl]methylamino]methyl]butan-1-ol
CID 103845594
2-[[4-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81413541

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol (CID 103828079) is 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol is CCc1ccc(CNCC(C)(CC)CO)cc1.
What is the InChIKey of 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is IPPUWBFMSDWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-13-6-8-14(9-7-13)10-16-11-15(3,5-2)12-17/h6-9,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol?
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 103828079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).