(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol

C12H19NO2 — CID 116954636

IUPAC(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
SMILESCNC(O)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C12H19NO2/c1-8(2)10-7-9(12(14)13-3)5-6-11(10)15-4/h5-8,12-14H,1-4H3
InChIKeyRICVDJISDYQEDI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.03
Rot. Bonds4

About (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol

(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol (PubChem CID 116954636) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol.

Molecular Properties

Compound Name(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
PubChem CID116954636
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
SMILESCNC(O)c1ccc(OC)c(C(C)C)c1
InChIInChI=1S/C12H19NO2/c1-8(2)10-7-9(12(14)13-3)5-6-11(10)15-4/h5-8,12-14H,1-4H3
InChIKeyRICVDJISDYQEDI-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.03
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

(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
3-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953316
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
3-(4-methoxy-3-propan-2-ylphenyl)-3-(methylamino)propanoic acid
CID 112518828
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652
N'-ethyl-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylethane-1,2-diamine
CID 116950303
3-(4-methoxy-3-propan-2-ylphenyl)-2,2-dimethyl-3-(methylamino)propanenitrile
CID 116955693
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol?
The IUPAC name of (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol (CID 116954636) is (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol.
What is the SMILES notation for (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol?
The canonical SMILES for (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol is CNC(O)c1ccc(OC)c(C(C)C)c1.
What is the InChIKey of (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol?
The InChIKey is RICVDJISDYQEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)10-7-9(12(14)13-3)5-6-11(10)15-4/h5-8,12-14H,1-4H3.
What are the key properties of (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol?
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol has a molecular weight of 209.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol is sourced from PubChem (CID 116954636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).