N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

C17H22N2S — CID 43224626

IUPACN-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(-c2ccc(CNCCN3CCCC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-2-6-15(7-3-1)17-9-8-16(20-17)14-18-10-13-19-11-4-5-12-19/h1-3,6-9,18H,4-5,10-14H2
InChIKeyYWNZGUHRLBVQGP-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.60
Rot. Bonds6

About N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 43224626) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID43224626
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(-c2ccc(CNCCN3CCCC3)s2)cc1
InChIInChI=1S/C17H22N2S/c1-2-6-15(7-3-1)17-9-8-16(20-17)14-18-10-13-19-11-4-5-12-19/h1-3,6-9,18H,4-5,10-14H2
InChIKeyYWNZGUHRLBVQGP-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
5-[(2-piperidin-1-ylethylamino)methyl]thiophene-2-carboxylic acid
CID 103244365
1-cyclohexyl-N-[(5-phenylthiophen-2-yl)methyl]methanamine
CID 43222784
N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide
CID 58924448
2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 61212219
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 62900558
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
N-[(5-bromothiophen-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28658161
3-(cyclopropylmethoxy)-N-[(5-phenylthiophen-2-yl)methyl]propan-1-amine
CID 43226034
N-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]acetamide
CID 43223958

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 43224626) is N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is c1ccc(-c2ccc(CNCCN3CCCC3)s2)cc1.
What is the InChIKey of N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is YWNZGUHRLBVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-6-15(7-3-1)17-9-8-16(20-17)14-18-10-13-19-11-4-5-12-19/h1-3,6-9,18H,4-5,10-14H2.
What are the key properties of N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 286.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 43224626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).