3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol

C14H23NO3 — CID 111449137

IUPAC3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10-11-9-13(17-2)5-6-14(11)18-3/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyJXEIQJJVBGZKJG-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.95
Rot. Bonds8

About 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol

3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol (PubChem CID 111449137) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
PubChem CID111449137
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10-11-9-13(17-2)5-6-14(11)18-3/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyJXEIQJJVBGZKJG-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
CID 62118733
2-[(2,5-dimethoxyphenyl)methylamino]butanoic acid
CID 82364659
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
(2R)-2-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 51690896
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
N-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623243

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol (CID 111449137) is 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1cc(OC)ccc1OC.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is JXEIQJJVBGZKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10-11-9-13(17-2)5-6-14(11)18-3/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol?
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 111449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).