1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol

C14H23NO3 — CID 43499278

IUPAC1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
SMILESCOc1ccc(CC(C)NCC(C)O)cc1OC
InChIInChI=1S/C14H23NO3/c1-10(15-9-11(2)16)7-12-5-6-13(17-3)14(8-12)18-4/h5-6,8,10-11,15-16H,7,9H2,1-4H3
InChIKeyUTSZOIUTRHWLQY-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.61
Rot. Bonds7

About 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol

1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol (PubChem CID 43499278) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
PubChem CID43499278
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
SMILESCOc1ccc(CC(C)NCC(C)O)cc1OC
InChIInChI=1S/C14H23NO3/c1-10(15-9-11(2)16)7-12-5-6-13(17-3)14(8-12)18-4/h5-6,8,10-11,15-16H,7,9H2,1-4H3
InChIKeyUTSZOIUTRHWLQY-UHFFFAOYSA-N
XLogP1.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-amino-4-methoxyphenyl)propan-2-ylamino]propan-2-ol
CID 82257433
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70002975
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 115896106
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
CID 70005638
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-phenoxypropan-2-ol;hydrochloride
CID 3059176
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 43201516
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 115728675
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3,3-trifluoropropan-1-amine
CID 63225927
2-methoxy-5-[2-(2-methylpropylamino)propyl]aniline
CID 82257431

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol (CID 43499278) is 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol is COc1ccc(CC(C)NCC(C)O)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol?
The InChIKey is UTSZOIUTRHWLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(15-9-11(2)16)7-12-5-6-13(17-3)14(8-12)18-4/h5-6,8,10-11,15-16H,7,9H2,1-4H3.
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol?
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 43499278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).