2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol

C14H23NO3 — CID 84597784

IUPAC2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
SMILESCOc1c(C)cc(CNC(C)(CO)CO)cc1C
InChIInChI=1S/C14H23NO3/c1-10-5-12(6-11(2)13(10)18-4)7-15-14(3,8-16)9-17/h5-6,15-17H,7-9H2,1-4H3
InChIKeyBTRROXZFJYXJHZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.14
Rot. Bonds6

About 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol

2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol (PubChem CID 84597784) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
PubChem CID84597784
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
SMILESCOc1c(C)cc(CNC(C)(CO)CO)cc1C
InChIInChI=1S/C14H23NO3/c1-10-5-12(6-11(2)13(10)18-4)7-15-14(3,8-16)9-17/h5-6,15-17H,7-9H2,1-4H3
InChIKeyBTRROXZFJYXJHZ-UHFFFAOYSA-N
XLogP1.14
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
CID 111112626
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
2-[(3,5-dimethoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 64549744
3-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]propan-1-ol
CID 63061499
3-hydroxy-N-[(4-methoxy-3,5-dimethylphenyl)methyl]propanamide
CID 115139094
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-4-methoxy-3,5-dimethylbenzamide
CID 99821344
3-[(4-methoxy-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122151
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
CID 115592095
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methanol
CID 115229389

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol (CID 84597784) is 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol is COc1c(C)cc(CNC(C)(CO)CO)cc1C.
What is the InChIKey of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
The InChIKey is BTRROXZFJYXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-5-12(6-11(2)13(10)18-4)7-15-14(3,8-16)9-17/h5-6,15-17H,7-9H2,1-4H3.
What are the key properties of 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol?
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol has a molecular weight of 253.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 84597784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).