(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol

C13H21NO2 — CID 116954652

IUPAC(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C13H21NO2/c1-8(2)10-7-11(13(15)14-4)9(3)6-12(10)16-5/h6-8,13-15H,1-5H3
InChIKeyFHXOYWFZQFRFSS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds4

About (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol

(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol (PubChem CID 116954652) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
PubChem CID116954652
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
SMILESCNC(O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C13H21NO2/c1-8(2)10-7-11(13(15)14-4)9(3)6-12(10)16-5/h6-8,13-15H,1-5H3
InChIKeyFHXOYWFZQFRFSS-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol
CID 116829986
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961202
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol?
The IUPAC name of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol (CID 116954652) is (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol.
What is the SMILES notation for (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol?
The canonical SMILES for (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol is CNC(O)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol?
The InChIKey is FHXOYWFZQFRFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(2)10-7-11(13(15)14-4)9(3)6-12(10)16-5/h6-8,13-15H,1-5H3.
What are the key properties of (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol?
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol has a molecular weight of 223.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol is sourced from PubChem (CID 116954652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).