1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol

C14H24N2OS — CID 112624537

IUPAC1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccc(C(C(C)N)N2CCC(C(C)O)C2)s1
InChIInChI=1S/C14H24N2OS/c1-9-4-5-13(18-9)14(10(2)15)16-7-6-12(8-16)11(3)17/h4-5,10-12,14,17H,6-8,15H2,1-3H3
InChIKeyIYXCPJPDUTYQHF-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.15
Rot. Bonds4

About 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol

1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624537) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
PubChem CID112624537
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol
SMILESCc1ccc(C(C(C)N)N2CCC(C(C)O)C2)s1
InChIInChI=1S/C14H24N2OS/c1-9-4-5-13(18-9)14(10(2)15)16-7-6-12(8-16)11(3)17/h4-5,10-12,14,17H,6-8,15H2,1-3H3
InChIKeyIYXCPJPDUTYQHF-UHFFFAOYSA-N
XLogP2.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 62198523
1-[1-[2-amino-1-(2-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112624576
1-(3-ethyl-4-methylpiperazin-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63603641
2-[2-amino-1-(5-methylthiophen-2-yl)propyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81098756
1-[1-[2-amino-1-(2-methoxyphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 115964958
1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
1-(5-methylthiophen-2-yl)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-amine
CID 102742972
1-(5-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 63603653
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 107453388
[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol
CID 116634140
3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076018

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol (CID 112624537) is 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol is Cc1ccc(C(C(C)N)N2CCC(C(C)O)C2)s1.
What is the InChIKey of 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is IYXCPJPDUTYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9-4-5-13(18-9)14(10(2)15)16-7-6-12(8-16)11(3)17/h4-5,10-12,14,17H,6-8,15H2,1-3H3.
What are the key properties of 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 268.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).