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

C12H20N2O — CID 115120751

IUPAC2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccccc1CN(C)CC(N)CO
InChIInChI=1S/C12H20N2O/c1-10-5-3-4-6-11(10)7-14(2)8-12(13)9-15/h3-6,12,15H,7-9,13H2,1-2H3
InChIKeyXRTXRWWXROWISZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.75
Rot. Bonds5

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

2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 115120751) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
PubChem CID115120751
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccccc1CN(C)CC(N)CO
InChIInChI=1S/C12H20N2O/c1-10-5-3-4-6-11(10)7-14(2)8-12(13)9-15/h3-6,12,15H,7-9,13H2,1-2H3
InChIKeyXRTXRWWXROWISZ-UHFFFAOYSA-N
XLogP0.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
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
2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 63070049
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
CID 61411459
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
CID 115120748
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62039915
2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
CID 115120711
3-N-[(5-tert-butyl-2-methylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119824

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol (CID 115120751) is 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol is Cc1ccccc1CN(C)CC(N)CO.
What is the InChIKey of 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is XRTXRWWXROWISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-5-3-4-6-11(10)7-14(2)8-12(13)9-15/h3-6,12,15H,7-9,13H2,1-2H3.
What are the key properties of 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol?
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115120751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).