1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol

C14H23NO3 — CID 6080

IUPAC1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NC(C)C)c1
InChIInChI=1S/C14H23NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,14-16H,1-5H3
InChIKeyYZXKGCIDSYWQIV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.12
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol

1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 6080) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID6080
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCOc1ccc(OC)c(C(O)C(C)NC(C)C)c1
InChIInChI=1S/C14H23NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,14-16H,1-5H3
InChIKeyYZXKGCIDSYWQIV-UHFFFAOYSA-N
XLogP2.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 69119374
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82314733
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
methyl 3-(2,5-dimethoxyphenyl)-2-hydroxybutanoate
CID 66289214
methyl 3-(2,5-dimethoxyphenyl)-2-oxobutanoate
CID 112501653
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82265663
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol (CID 6080) is 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol is COc1ccc(OC)c(C(O)C(C)NC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is YZXKGCIDSYWQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)15-10(3)14(16)12-8-11(17-4)6-7-13(12)18-5/h6-10,14-16H,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol?
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 6080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).