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

C15H25NO — CID 115251113

IUPAC2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CCc1ccccc1C
InChIInChI=1S/C15H25NO/c1-4-14(12-17)11-16(3)10-9-15-8-6-5-7-13(15)2/h5-8,14,17H,4,9-12H2,1-3H3
InChIKeyMCLALCNGLPDEIN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.49
Rot. Bonds7

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

2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol (PubChem CID 115251113) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
PubChem CID115251113
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)CCc1ccccc1C
InChIInChI=1S/C15H25NO/c1-4-14(12-17)11-16(3)10-9-15-8-6-5-7-13(15)2/h5-8,14,17H,4,9-12H2,1-3H3
InChIKeyMCLALCNGLPDEIN-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 77055
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CID 79884
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235
(1-Benzylpyrrolidin-3-yl)methanol
CID 5176654
threo-N-ethylritalinol hydrochloride
CID 16719767
2-[(3-Phenylpropyl)(propyl)amino]ethanol
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(2R,3R)-1-(dimethylamino)-4,4-dimethyl-2-phenylpentan-3-ol;hydrochloride
CID 45262340
2-(4-Phenylpiperidin-1-yl)ethanol
CID 264832
2-(2-((Dimethylamino)methyl)phenyl)ethanol
CID 254815
Ethanol, 2,2'-[(2-phenylethyl)imino]bis-
CID 10987515
1-Propanol, 3-((3,3-diphenylpropyl)methylamino)-, hydrochloride
CID 212087

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol (CID 115251113) is 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol is CCC(CO)CN(C)CCc1ccccc1C.
What is the InChIKey of 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The InChIKey is MCLALCNGLPDEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-14(12-17)11-16(3)10-9-15-8-6-5-7-13(15)2/h5-8,14,17H,4,9-12H2,1-3H3.
What are the key properties of 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115251113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).