(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol

C14H22N2O2 — CID 95804626

IUPAC(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN(C)C[C@]2(O)CCNC2)cc1
InChIInChI=1S/C14H22N2O2/c1-16(11-14(17)7-8-15-10-14)9-12-3-5-13(18-2)6-4-12/h3-6,15,17H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyOOMPEJVJNKSEQA-AWEZNQCLSA-N
MW250.34 g/mol
LogP0.85
Rot. Bonds5

About (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol

(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol (PubChem CID 95804626) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
PubChem CID95804626
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(CN(C)C[C@]2(O)CCNC2)cc1
InChIInChI=1S/C14H22N2O2/c1-16(11-14(17)7-8-15-10-14)9-12-3-5-13(18-2)6-4-12/h3-6,15,17H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyOOMPEJVJNKSEQA-AWEZNQCLSA-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

4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
4-[[(4-bromophenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 55048485
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
4-[[(4-fluorophenyl)methyl-methylamino]methyl]azepan-4-ol
CID 175662545
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
[(4S)-4-hydroxy-4-[[(4-methoxyphenyl)methyl-methylamino]methyl]azepan-1-yl]-piperidin-4-ylmethanone
CID 124957075
3-[(4-methoxyanilino)methyl]pyrrolidin-3-ol
CID 105479226
3-[(4-methoxyphenyl)methyl]azetidin-3-ol
CID 83685225
3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761278
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol (CID 95804626) is (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol is COc1ccc(CN(C)C[C@]2(O)CCNC2)cc1.
What is the InChIKey of (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is OOMPEJVJNKSEQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(11-14(17)7-8-15-10-14)9-12-3-5-13(18-2)6-4-12/h3-6,15,17H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol?
(3S)-3-[[(4-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 (3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 95804626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).