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

C18H31NO3 — CID 46007027

IUPAC1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1cccc(OC)c1OC)CC(C)C
InChIInChI=1S/C18H31NO3/c1-6-8-16(20)13-19(11-14(2)3)12-15-9-7-10-17(21-4)18(15)22-5/h7,9-10,14,16,20H,6,8,11-13H2,1-5H3
InChIKeyJCDHXTBWGHBDHQ-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.32
Rot. Bonds10

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

1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol (PubChem CID 46007027) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol
PubChem CID46007027
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol
SMILESCCCC(O)CN(Cc1cccc(OC)c1OC)CC(C)C
InChIInChI=1S/C18H31NO3/c1-6-8-16(20)13-19(11-14(2)3)12-15-9-7-10-17(21-4)18(15)22-5/h7,9-10,14,16,20H,6,8,11-13H2,1-5H3
InChIKeyJCDHXTBWGHBDHQ-UHFFFAOYSA-N
XLogP3.32
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]pentan-2-ol
CID 46007066
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713651
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161532
(2S)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93161549
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 46007031
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93161554
(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
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46007047

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol (CID 46007027) is 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol is CCCC(O)CN(Cc1cccc(OC)c1OC)CC(C)C.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol?
The InChIKey is JCDHXTBWGHBDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-6-8-16(20)13-19(11-14(2)3)12-15-9-7-10-17(21-4)18(15)22-5/h7,9-10,14,16,20H,6,8,11-13H2,1-5H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol?
1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)amino]pentan-2-ol has a molecular weight of 309.45 g/mol, XLogP of 3.32, 10 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-(2-methylpropyl)amino]pentan-2-ol is sourced from PubChem (CID 46007027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).