(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

C14H22N2O2 — CID 11652165

IUPAC(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCOc1ccc([C@H](O)[C@@H](N)CN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2/c1-18-12-6-4-11(5-7-12)14(17)13(15)10-16-8-2-3-9-16/h4-7,13-14,17H,2-3,8-10,15H2,1H3/t13-,14-/m0/s1
InChIKeyGBWPSOGGDAAUHB-KBPBESRZSA-N
MW250.34 g/mol
LogP1.15
Rot. Bonds5

About (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol

(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 11652165) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID11652165
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
SMILESCOc1ccc([C@H](O)[C@@H](N)CN2CCCC2)cc1
InChIInChI=1S/C14H22N2O2/c1-18-12-6-4-11(5-7-12)14(17)13(15)10-16-8-2-3-9-16/h4-7,13-14,17H,2-3,8-10,15H2,1H3/t13-,14-/m0/s1
InChIKeyGBWPSOGGDAAUHB-KBPBESRZSA-N
XLogP1.15
TPSA58.72 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 163771955
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 122579136
1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 3102574
(1R,2R)-1-(4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 822969
(1R,2R)-2-amino-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-1-ol
CID 59864499
[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 68513118
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
benzyl-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 67302978
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol (CID 11652165) is (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is COc1ccc([C@H](O)[C@@H](N)CN2CCCC2)cc1.
What is the InChIKey of (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is GBWPSOGGDAAUHB-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-12-6-4-11(5-7-12)14(17)13(15)10-16-8-2-3-9-16/h4-7,13-14,17H,2-3,8-10,15H2,1H3/t13-,14-/m0/s1.
What are the key properties of (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol?
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 11652165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).