2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol

C11H19NO — CID 90881137

IUPAC2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
SMILESCNC(C)C(O)C1(C)C=CC=CC1
InChIInChI=1S/C11H19NO/c1-9(12-3)10(13)11(2)7-5-4-6-8-11/h4-7,9-10,12-13H,8H2,1-3H3
InChIKeyBASRJGQWADPYOX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.48
Rot. Bonds3

About 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol

2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol (PubChem CID 90881137) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
PubChem CID90881137
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
SMILESCNC(C)C(O)C1(C)C=CC=CC1
InChIInChI=1S/C11H19NO/c1-9(12-3)10(13)11(2)7-5-4-6-8-11/h4-7,9-10,12-13H,8H2,1-3H3
InChIKeyBASRJGQWADPYOX-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(-)-Pseudoephedrinhydrochlorid
CID 129629514
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
(2S,3S)-2-cyclohexa-2,4-dien-1-yl-3-(methylamino)butan-2-ol
CID 129630658
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(dimethylamino)propan-1-ol
CID 129650447
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-2-(methylamino)propan-1-ol
CID 70320951
(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
CID 102264627
m-Hydroxypseudoephedrine
CID 129705379
4-Dihydroxypseudoephedrin
CID 129888515
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
1-Cyclohexa-2,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 20758180
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The IUPAC name of 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol (CID 90881137) is 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The canonical SMILES for 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol is CNC(C)C(O)C1(C)C=CC=CC1.
What is the InChIKey of 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The InChIKey is BASRJGQWADPYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(12-3)10(13)11(2)7-5-4-6-8-11/h4-7,9-10,12-13H,8H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol is sourced from PubChem (CID 90881137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).