1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol

C15H25NO3 — CID 111107838

IUPAC1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
SMILESCOc1ccc(OC)c(CN(CC(C)O)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)16(9-12(3)17)10-13-8-14(18-4)6-7-15(13)19-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyDYQDTMHIPSBPJJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.30
Rot. Bonds7

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

1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol (PubChem CID 111107838) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
PubChem CID111107838
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
SMILESCOc1ccc(OC)c(CN(CC(C)O)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)16(9-12(3)17)10-13-8-14(18-4)6-7-15(13)19-5/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyDYQDTMHIPSBPJJ-UHFFFAOYSA-N
XLogP2.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107828
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
N-[2-(2,5-dimethoxyphenyl)ethyl]-N-ethylpropan-2-amine;ethane
CID 142573770
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62018369
4-methoxy-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982576
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228673
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol (CID 111107838) is 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol is COc1ccc(OC)c(CN(CC(C)O)C(C)C)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol?
The InChIKey is DYQDTMHIPSBPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)16(9-12(3)17)10-13-8-14(18-4)6-7-15(13)19-5/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol?
1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl-propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 111107838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).