1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol

C19H33NO3 — CID 46007066

IUPAC1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCC(C)C)Cc1cccc(OC)c1OC
InChIInChI=1S/C19H33NO3/c1-6-8-17(21)14-20(12-11-15(2)3)13-16-9-7-10-18(22-4)19(16)23-5/h7,9-10,15,17,21H,6,8,11-14H2,1-5H3
InChIKeyPMOVTNFPCWBFTG-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.71
Rot. Bonds11

About 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol

1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol (PubChem CID 46007066) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol
PubChem CID46007066
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CCC(C)C)Cc1cccc(OC)c1OC
InChIInChI=1S/C19H33NO3/c1-6-8-17(21)14-20(12-11-15(2)3)13-16-9-7-10-18(22-4)19(16)23-5/h7,9-10,15,17,21H,6,8,11-14H2,1-5H3
InChIKeyPMOVTNFPCWBFTG-UHFFFAOYSA-N
XLogP3.71
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol
CID 46007027
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161653
1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46007068
(2S)-1-[(2,3-dimethoxyphenyl)methyl-propylamino]-3-propan-2-yloxypropan-2-ol
CID 93161613
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]butan-2-ol
CID 93161575
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161532
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713651
1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46007047
1-[(2,3-dimethoxyphenyl)methyl-propylamino]-3-prop-2-ynoxypropan-2-ol
CID 24713170
1-[(2-methoxyphenyl)methyl-(3-methylbutyl)amino]-3-propan-2-yloxypropan-2-ol
CID 42836968
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161589
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93161549

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol (CID 46007066) is 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol is CCCC(O)CN(CCC(C)C)Cc1cccc(OC)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol?
The InChIKey is PMOVTNFPCWBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-6-8-17(21)14-20(12-11-15(2)3)13-16-9-7-10-18(22-4)19(16)23-5/h7,9-10,15,17,21H,6,8,11-14H2,1-5H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol?
1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol is sourced from PubChem (CID 46007066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).