2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol

C14H23ClN2OS — CID 114797123

IUPAC2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCC(CCO)C1
InChIInChI=1S/C14H23ClN2OS/c1-2-11(16)14(12-3-4-13(15)19-12)17-7-5-10(9-17)6-8-18/h3-4,10-11,14,18H,2,5-9,16H2,1H3
InChIKeyYDHLKEWSYOKSBM-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.88
Rot. Bonds6

About 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol

2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol (PubChem CID 114797123) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
PubChem CID114797123
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCC(CCO)C1
InChIInChI=1S/C14H23ClN2OS/c1-2-11(16)14(12-3-4-13(15)19-12)17-7-5-10(9-17)6-8-18/h3-4,10-11,14,18H,2,5-9,16H2,1H3
InChIKeyYDHLKEWSYOKSBM-UHFFFAOYSA-N
XLogP2.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(5-chlorothiophen-2-yl)butan-2-amine
CID 79918784
1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]-4-methylpiperidin-4-ol
CID 81097160
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
2-[1-[2-amino-1-(furan-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227112
2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
CID 107227144
1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol
CID 114677962
1-(4-ethylpiperidin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021620
2-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114797124
1-(4-tert-butylpiperidin-1-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 62089681

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol (CID 114797123) is 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol is CCC(N)C(c1ccc(Cl)s1)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol?
The InChIKey is YDHLKEWSYOKSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-2-11(16)14(12-3-4-13(15)19-12)17-7-5-10(9-17)6-8-18/h3-4,10-11,14,18H,2,5-9,16H2,1H3.
What are the key properties of 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol has a molecular weight of 302.87 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).