2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol

C18H24N2OS — CID 18940475

IUPAC2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1ccc(CN2CCCC2)s1
InChIInChI=1S/C18H24N2OS/c19-16(12-14-6-2-1-3-7-14)18(21)17-9-8-15(22-17)13-20-10-4-5-11-20/h1-3,6-9,16,18,21H,4-5,10-13,19H2
InChIKeyWXUWEMVXKYPTSR-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.95
Rot. Bonds6

About 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol

2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol (PubChem CID 18940475) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol
PubChem CID18940475
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol
SMILESNC(Cc1ccccc1)C(O)c1ccc(CN2CCCC2)s1
InChIInChI=1S/C18H24N2OS/c19-16(12-14-6-2-1-3-7-14)18(21)17-9-8-15(22-17)13-20-10-4-5-11-20/h1-3,6-9,16,18,21H,4-5,10-13,19H2
InChIKeyWXUWEMVXKYPTSR-UHFFFAOYSA-N
XLogP2.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-piperidin-1-yl-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoic acid
CID 140968454
ethyl 2-amino-3-hydroxy-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate
CID 18940427
ethyl 3-hydroxy-2-(phenylmethoxycarbonylamino)-3-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propanoate
CID 18940468
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
CID 143402490
(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70230035
1-benzylazepane
CID 10954328
1-benzylpyrrolidine;propane
CID 143692089
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
3-amino-4-phenyl-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-2-ol
CID 166105707
(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride
CID 161196284
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 15947125

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol?
The IUPAC name of 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol (CID 18940475) is 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol is NC(Cc1ccccc1)C(O)c1ccc(CN2CCCC2)s1.
What is the InChIKey of 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol?
The InChIKey is WXUWEMVXKYPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c19-16(12-14-6-2-1-3-7-14)18(21)17-9-8-15(22-17)13-20-10-4-5-11-20/h1-3,6-9,16,18,21H,4-5,10-13,19H2.
What are the key properties of 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol?
2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol has a molecular weight of 316.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 18940475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).