2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol

C14H21NO3 — CID 115137051

IUPAC2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol
SMILESCc1cc2c(cc1CN(C)CC(C)(C)O)OCO2
InChIInChI=1S/C14H21NO3/c1-10-5-12-13(18-9-17-12)6-11(10)7-15(4)8-14(2,3)16/h5-6,16H,7-9H2,1-4H3
InChIKeyYLXGHIOXJFVRIP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.93
Rot. Bonds4

About 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol

2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol (PubChem CID 115137051) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol
PubChem CID115137051
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol
SMILESCc1cc2c(cc1CN(C)CC(C)(C)O)OCO2
InChIInChI=1S/C14H21NO3/c1-10-5-12-13(18-9-17-12)6-11(10)7-15(4)8-14(2,3)16/h5-6,16H,7-9H2,1-4H3
InChIKeyYLXGHIOXJFVRIP-UHFFFAOYSA-N
XLogP1.93
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]methanol
CID 115229229
N-(bromomethyl)-N-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanamine
CID 115262135
methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]carbamic acid
CID 115171057
2-methyl-1-[(6-methyl-1,3-benzodioxol-5-yl)amino]propan-2-ol
CID 115136804
N-methyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-3-sulfanylpropanamide
CID 115167975
3-[methyl-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]propan-1-ol
CID 115216940
3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115153767
2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol
CID 115137003
3-methyl-3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethylamino]butan-1-ol
CID 115134282
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
3,3-dimethyl-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116925179
2-amino-2-methyl-N-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]propanamide
CID 115152763

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol (CID 115137051) is 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol is Cc1cc2c(cc1CN(C)CC(C)(C)O)OCO2.
What is the InChIKey of 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol?
The InChIKey is YLXGHIOXJFVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-5-12-13(18-9-17-12)6-11(10)7-15(4)8-14(2,3)16/h5-6,16H,7-9H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(6-methyl-1,3-benzodioxol-5-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 115137051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).