2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine

C14H22N2O — CID 135374431

IUPAC2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
SMILESCNC(CN1CC[C@H](OC)C1)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-15-14(12-6-4-3-5-7-12)11-16-9-8-13(10-16)17-2/h3-7,13-15H,8-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyZFBOMSBIOQXOSM-LSLKUGRBSA-N
MW234.34 g/mol
LogP1.67
Rot. Bonds5

About 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine

2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine (PubChem CID 135374431) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
PubChem CID135374431
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
SMILESCNC(CN1CC[C@H](OC)C1)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-15-14(12-6-4-3-5-7-12)11-16-9-8-13(10-16)17-2/h3-7,13-15H,8-11H2,1-2H3/t13-,14?/m0/s1
InChIKeyZFBOMSBIOQXOSM-LSLKUGRBSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612
2-(3-methoxypyrrolidin-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 103532164
1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine
CID 103532336
N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
CID 63164036
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-phenylethanamine
CID 63150172
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-(3-methoxypyrrolidin-1-yl)-1-naphthalen-2-ylethanamine
CID 103532357
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
CID 103532310
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine?
The IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine (CID 135374431) is 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine is CNC(CN1CC[C@H](OC)C1)c1ccccc1.
What is the InChIKey of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine?
The InChIKey is ZFBOMSBIOQXOSM-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-14(12-6-4-3-5-7-12)11-16-9-8-13(10-16)17-2/h3-7,13-15H,8-11H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine?
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine has a molecular weight of 234.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 135374431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).