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

C13H21NO — CID 115665625

IUPAC2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccccc1CN(C)CC(C)CO
InChIInChI=1S/C13H21NO/c1-11(10-15)8-14(3)9-13-7-5-4-6-12(13)2/h4-7,11,15H,8-10H2,1-3H3
InChIKeyLYUARPGZPRRMLC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds5

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

2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 115665625) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
PubChem CID115665625
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccccc1CN(C)CC(C)CO
InChIInChI=1S/C13H21NO/c1-11(10-15)8-14(3)9-13-7-5-4-6-12(13)2/h4-7,11,15H,8-10H2,1-3H3
InChIKeyLYUARPGZPRRMLC-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62039915
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 63070049
[2-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54971152
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115251113
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol (CID 115665625) is 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol is Cc1ccccc1CN(C)CC(C)CO.
What is the InChIKey of 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is LYUARPGZPRRMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(10-15)8-14(3)9-13-7-5-4-6-12(13)2/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115665625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).