5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol

C14H22N2O2 — CID 66054578

IUPAC5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1cccc(CN(C)CC2CC(O)CN2)c1
InChIInChI=1S/C14H22N2O2/c1-16(10-12-7-13(17)8-15-12)9-11-4-3-5-14(6-11)18-2/h3-6,12-13,15,17H,7-10H2,1-2H3
InChIKeySMTQHLRTCMENEH-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.85
Rot. Bonds5

About 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol

5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 66054578) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
PubChem CID66054578
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1cccc(CN(C)CC2CC(O)CN2)c1
InChIInChI=1S/C14H22N2O2/c1-16(10-12-7-13(17)8-15-12)9-11-4-3-5-14(6-11)18-2/h3-6,12-13,15,17H,7-10H2,1-2H3
InChIKeySMTQHLRTCMENEH-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-[[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 167946449
5-[(4-methoxy-N-methylanilino)methyl]pyrrolidin-3-ol
CID 66056361
6-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79843512
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
CID 107069067
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine
CID 117270683
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol (CID 66054578) is 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol is COc1cccc(CN(C)CC2CC(O)CN2)c1.
What is the InChIKey of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is SMTQHLRTCMENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(10-12-7-13(17)8-15-12)9-11-4-3-5-14(6-11)18-2/h3-6,12-13,15,17H,7-10H2,1-2H3.
What are the key properties of 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 250.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).