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

C14H23NO3 — CID 111118852

IUPAC1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO3/c1-4-5-12(16)10-15-9-11-8-13(17-2)6-7-14(11)18-3/h6-8,12,15-16H,4-5,9-10H2,1-3H3
InChIKeyKENZRVZHBMLKAK-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.95
Rot. Bonds8

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

1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol (PubChem CID 111118852) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
PubChem CID111118852
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
SMILESCCCC(O)CNCc1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO3/c1-4-5-12(16)10-15-9-11-8-13(17-2)6-7-14(11)18-3/h6-8,12,15-16H,4-5,9-10H2,1-3H3
InChIKeyKENZRVZHBMLKAK-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

1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888253
1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
CID 115623406
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
CID 63931950
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
4-[(2-hydroxypentylamino)methyl]-2-methoxyphenol
CID 115978569
2-[[(2,5-dimethoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254449
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
(2S)-1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 28730363
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 115614887

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol (CID 111118852) is 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol is CCCC(O)CNCc1cc(OC)ccc1OC.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol?
The InChIKey is KENZRVZHBMLKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-5-12(16)10-15-9-11-8-13(17-2)6-7-14(11)18-3/h6-8,12,15-16H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol?
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-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 1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).