2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol

C13H21NO2 — CID 106187895

IUPAC2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1c(C)cccc1C
InChIInChI=1S/C13H21NO2/c1-10-5-4-6-11(2)13(10)7-14-12(8-15)9-16-3/h4-6,12,14-15H,7-9H2,1-3H3
InChIKeyNVTJAQGMGUKDGW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.40
Rot. Bonds6

About 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol

2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol (PubChem CID 106187895) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol
PubChem CID106187895
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1c(C)cccc1C
InChIInChI=1S/C13H21NO2/c1-10-5-4-6-11(2)13(10)7-14-12(8-15)9-16-3/h4-6,12,14-15H,7-9H2,1-3H3
InChIKeyNVTJAQGMGUKDGW-UHFFFAOYSA-N
XLogP1.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol (CID 106187895) is 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol is COCC(CO)NCc1c(C)cccc1C.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol?
The InChIKey is NVTJAQGMGUKDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-4-6-11(2)13(10)7-14-12(8-15)9-16-3/h4-6,12,14-15H,7-9H2,1-3H3.
What are the key properties of 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol?
2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106187895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).