(3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol

C20H26N2O2 — CID 77083296

IUPAC(3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCN(C)[C@H]1CN(Cc2ccccc2OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C20H26N2O2/c1-21(2)18-13-22(14-19(18)23)12-17-10-6-7-11-20(17)24-15-16-8-4-3-5-9-16/h3-11,18-19,23H,12-15H2,1-2H3/t18-,19-/m0/s1
InChIKeyKIOBUYIKPAMIKT-OALUTQOASA-N
MW326.44 g/mol
LogP2.37
Rot. Bonds6

About (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol

(3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol (PubChem CID 77083296) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol
PubChem CID77083296
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCN(C)[C@H]1CN(Cc2ccccc2OCc2ccccc2)C[C@@H]1O
InChIInChI=1S/C20H26N2O2/c1-21(2)18-13-22(14-19(18)23)12-17-10-6-7-11-20(17)24-15-16-8-4-3-5-9-16/h3-11,18-19,23H,12-15H2,1-2H3/t18-,19-/m0/s1
InChIKeyKIOBUYIKPAMIKT-OALUTQOASA-N
XLogP2.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R,6S)-3-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137342988
(3R,4R)-4-(dimethylamino)-1-(3-phenylpropyl)pyrrolidin-3-ol
CID 133113656
(3S,4S)-4-(dimethylamino)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129454913
(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 128979723
2-[4-[[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 74245862
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 82974216
[(4aS,8aS)-1-methyl-7-[(2-phenylmethoxyphenyl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135094338
N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 70726913
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
2-[(2-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 56716924
(3aS,6aR)-2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139598522
4-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909460

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol (CID 77083296) is (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol is CN(C)[C@H]1CN(Cc2ccccc2OCc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is KIOBUYIKPAMIKT-OALUTQOASA-N. The full InChI is InChI=1S/C20H26N2O2/c1-21(2)18-13-22(14-19(18)23)12-17-10-6-7-11-20(17)24-15-16-8-4-3-5-9-16/h3-11,18-19,23H,12-15H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol?
(3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 326.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylamino)-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 77083296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).