4-methoxy-3-(methylamino)-3-phenylbutan-1-ol

C12H19NO2 — CID 103466320

IUPAC4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
SMILESCNC(CCO)(COC)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-13-12(8-9-14,10-15-2)11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3
InChIKeyNREDOJIMYQEIEF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.13
Rot. Bonds6

About 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol

4-methoxy-3-(methylamino)-3-phenylbutan-1-ol (PubChem CID 103466320) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
PubChem CID103466320
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
SMILESCNC(CCO)(COC)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-13-12(8-9-14,10-15-2)11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3
InChIKeyNREDOJIMYQEIEF-UHFFFAOYSA-N
XLogP1.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(methylamino)-3-phenylbutanamide
CID 103466300
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
3-(ethylamino)-4-methoxy-3-phenylbutanamide
CID 103466305
(3S)-3-(methylamino)-3-phenylbutan-1-ol
CID 174606710
4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)-2-phenylbutan-1-ol
CID 116695217
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
CID 103466302
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
CID 103465829
1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine
CID 103466015
3-[1-methoxypropan-2-yl(methyl)amino]-2-(methylamino)-2-phenylpropan-1-ol
CID 64826513

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol?
The IUPAC name of 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol (CID 103466320) is 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol.
What is the SMILES notation for 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol?
The canonical SMILES for 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol is CNC(CCO)(COC)c1ccccc1.
What is the InChIKey of 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol?
The InChIKey is NREDOJIMYQEIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-13-12(8-9-14,10-15-2)11-6-4-3-5-7-11/h3-7,13-14H,8-10H2,1-2H3.
What are the key properties of 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol?
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methylamino)-3-phenylbutan-1-ol is sourced from PubChem (CID 103466320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).