(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol

C16H25NO3 — CID 129388716

IUPAC(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol
SMILESCOc1ccc(CC[C@@H](O)[C@H]2CCCN2C)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-17-10-4-5-14(17)15(18)9-7-12-6-8-13(19-2)11-16(12)20-3/h6,8,11,14-15,18H,4-5,7,9-10H2,1-3H3/t14-,15-/m1/s1
InChIKeyKENRXKRYFIDJRD-HUUCEWRRSA-N
MW279.38 g/mol
LogP2.09
Rot. Bonds6

About (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol

(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol (PubChem CID 129388716) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol
PubChem CID129388716
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol
SMILESCOc1ccc(CC[C@@H](O)[C@H]2CCCN2C)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-17-10-4-5-14(17)15(18)9-7-12-6-8-13(19-2)11-16(12)20-3/h6,8,11,14-15,18H,4-5,7,9-10H2,1-3H3/t14-,15-/m1/s1
InChIKeyKENRXKRYFIDJRD-HUUCEWRRSA-N
XLogP2.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-3-cyclopropylpropyl)-2,4-dimethoxybenzene
CID 64507317
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
1,2-bis[2-(2,4-dimethoxyphenyl)ethyl]pyrazolidin-4-amine
CID 20519799
N-[(2,4-dimethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145307
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111880141
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
2-[2-(2,4-dimethoxyphenyl)ethyl]cyclohexane-1,3-dione
CID 165345675

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol (CID 129388716) is (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol is COc1ccc(CC[C@@H](O)[C@H]2CCCN2C)c(OC)c1.
What is the InChIKey of (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is KENRXKRYFIDJRD-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-10-4-5-14(17)15(18)9-7-12-6-8-13(19-2)11-16(12)20-3/h6,8,11,14-15,18H,4-5,7,9-10H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol?
(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 129388716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).