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

C16H27NO — CID 115252258

IUPAC3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCc1ccccc1CCN(C)CC(CO)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(12-18)11-17(4)10-9-15-8-6-5-7-14(15)3/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyMHWJGBTXVSIZJE-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.73
Rot. Bonds7

About 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol

3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol (PubChem CID 115252258) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
PubChem CID115252258
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCc1ccccc1CCN(C)CC(CO)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(12-18)11-17(4)10-9-15-8-6-5-7-14(15)3/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyMHWJGBTXVSIZJE-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N'-[2-(2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252939
2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115251113
N'-[2-(2-bromophenyl)ethyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252622
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285
N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252941
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 28956274
4-[methyl-[2-(2-methylphenyl)ethyl]amino]butanenitrile
CID 115232074
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
2-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol (CID 115252258) is 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol is Cc1ccccc1CCN(C)CC(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The InChIKey is MHWJGBTXVSIZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16(12-18)11-17(4)10-9-15-8-6-5-7-14(15)3/h5-8,13,16,18H,9-12H2,1-4H3.
What are the key properties of 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol?
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115252258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).