3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol

C14H23NO3 — CID 111449243

IUPAC3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10-11-5-6-13(17-2)14(9-11)18-3/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyIMUGBMVDOKGDSO-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.95
Rot. Bonds8

About 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol

3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol (PubChem CID 111449243) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
PubChem CID111449243
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10-11-5-6-13(17-2)14(9-11)18-3/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3
InChIKeyIMUGBMVDOKGDSO-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

(2S)-2-[(3,4-dimethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 23623616
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine
CID 62118157
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108
3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-3-amine;oxalic acid
CID 17365870
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 78804015
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol (CID 111449243) is 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is IMUGBMVDOKGDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10-11-5-6-13(17-2)14(9-11)18-3/h5-6,9,12,15-16H,4,7-8,10H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol?
3-[(3,4-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-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 111449243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).