1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol

C13H21NO — CID 62333578

IUPAC1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
SMILESCc1ccc(C)c(CN(C)CC(C)O)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-11(2)13(7-10)9-14(4)8-12(3)15/h5-7,12,15H,8-9H2,1-4H3
InChIKeyNDOIRRLLAJKCFD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.12
Rot. Bonds4

About 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol

1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol (PubChem CID 62333578) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
PubChem CID62333578
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
SMILESCc1ccc(C)c(CN(C)CC(C)O)c1
InChIInChI=1S/C13H21NO/c1-10-5-6-11(2)13(7-10)9-14(4)8-12(3)15/h5-7,12,15H,8-9H2,1-4H3
InChIKeyNDOIRRLLAJKCFD-UHFFFAOYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
N-[(2,5-dimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117043979
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]butanenitrile
CID 115253887
4-[[2-hydroxypropyl(methyl)amino]methyl]-7-methylchromen-2-one
CID 55061028
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[(2,5-dimethylphenyl)methyl]amino]propan-2-ol
CID 93164723
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
4-[[2-hydroxypropyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114481157

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol (CID 62333578) is 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol is Cc1ccc(C)c(CN(C)CC(C)O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is NDOIRRLLAJKCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-6-11(2)13(7-10)9-14(4)8-12(3)15/h5-7,12,15H,8-9H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol?
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62333578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).