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

C12H20N2O — CID 104710864

IUPAC3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(C)C(CN)CO)c1
InChIInChI=1S/C12H20N2O/c1-10-4-3-5-11(6-10)8-14(2)12(7-13)9-15/h3-6,12,15H,7-9,13H2,1-2H3
InChIKeyRIMIJAGLZBVKMR-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.75
Rot. Bonds5

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

3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 104710864) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
PubChem CID104710864
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1cccc(CN(C)C(CN)CO)c1
InChIInChI=1S/C12H20N2O/c1-10-4-3-5-11(6-10)8-14(2)12(7-13)9-15/h3-6,12,15H,7-9,13H2,1-2H3
InChIKeyRIMIJAGLZBVKMR-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-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
4-methoxy-2-N,3-dimethyl-2-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 116501648
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
2-N-[(3-chlorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413099
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 61413987
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
N'-hydroxy-3-[methyl-[(3-methylphenyl)methyl]amino]butanimidamide
CID 61413856
1-(4-chlorothiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 79426613

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol (CID 104710864) is 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol is Cc1cccc(CN(C)C(CN)CO)c1.
What is the InChIKey of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is RIMIJAGLZBVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-4-3-5-11(6-10)8-14(2)12(7-13)9-15/h3-6,12,15H,7-9,13H2,1-2H3.
What are the key properties of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol?
3-amino-2-[methyl-[(3-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 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 104710864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).