[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol

C16H26N2O2 — CID 62887966

IUPAC[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN1CCCC1CN(C)C
InChIInChI=1S/C16H26N2O2/c1-17(2)11-15-5-4-8-18(15)10-14-9-13(12-19)6-7-16(14)20-3/h6-7,9,15,19H,4-5,8,10-12H2,1-3H3
InChIKeyQCUIPABDYYSBNI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.71
Rot. Bonds6

About [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol

[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol (PubChem CID 62887966) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
PubChem CID62887966
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
SMILESCOc1ccc(CO)cc1CN1CCCC1CN(C)C
InChIInChI=1S/C16H26N2O2/c1-17(2)11-15-5-4-8-18(15)10-14-9-13(12-19)6-7-16(14)20-3/h6-7,9,15,19H,4-5,8,10-12H2,1-3H3
InChIKeyQCUIPABDYYSBNI-UHFFFAOYSA-N
XLogP1.71
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-3-methoxyaniline
CID 107208396
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2R)-1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 70140500
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 106790819
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-5-methoxyaniline
CID 115414082
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
3-[1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468345

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol (CID 62887966) is [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol is COc1ccc(CO)cc1CN1CCCC1CN(C)C.
What is the InChIKey of [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol?
The InChIKey is QCUIPABDYYSBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17(2)11-15-5-4-8-18(15)10-14-9-13(12-19)6-7-16(14)20-3/h6-7,9,15,19H,4-5,8,10-12H2,1-3H3.
What are the key properties of [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol?
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol is sourced from PubChem (CID 62887966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).