(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride

C13H22Cl2N2O — CID 23594216

IUPAC(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
SMILESCN[C@H](CN1CC[C@H](O)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-14-13(11-5-3-2-4-6-11)10-15-8-7-12(16)9-15;;/h2-6,12-14,16H,7-10H2,1H3;2*1H/t12-,13+;;/m0../s1
InChIKeySRHDTMOMNZNJOH-CQSOCPNPSA-N
MW293.24 g/mol
LogP1.86
Rot. Bonds4

About (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride

(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride (PubChem CID 23594216) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
PubChem CID23594216
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
SMILESCN[C@H](CN1CC[C@H](O)C1)c1ccccc1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-14-13(11-5-3-2-4-6-11)10-15-8-7-12(16)9-15;;/h2-6,12-14,16H,7-10H2,1H3;2*1H/t12-,13+;;/m0../s1
InChIKeySRHDTMOMNZNJOH-CQSOCPNPSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-2-(4-aminophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
CID 22862233
(3S)-1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
CID 67673345
(3S)-1-[2-(2,2-dimethoxyethylamino)-2-phenylethyl]pyrrolidin-3-ol
CID 70341809
N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
CID 63164036
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
CID 68537889
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-phenylethanamine
CID 63150172
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107217
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride (CID 23594216) is (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride is CN[C@H](CN1CC[C@H](O)C1)c1ccccc1.Cl.Cl.
What is the InChIKey of (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride?
The InChIKey is SRHDTMOMNZNJOH-CQSOCPNPSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-14-13(11-5-3-2-4-6-11)10-15-8-7-12(16)9-15;;/h2-6,12-14,16H,7-10H2,1H3;2*1H/t12-,13+;;/m0../s1.
What are the key properties of (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride?
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 23594216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).