N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline

C17H22N2S — CID 63990671

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
SMILESCc1ccsc1C(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H22N2S/c1-13-9-12-20-17(13)14(2)18-15-5-7-16(8-6-15)19-10-3-4-11-19/h5-9,12,14,18H,3-4,10-11H2,1-2H3
InChIKeyHPSKIYLQJQSDHD-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.83
Rot. Bonds4

About N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline

N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline (PubChem CID 63990671) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
PubChem CID63990671
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
SMILESCc1ccsc1C(C)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H22N2S/c1-13-9-12-20-17(13)14(2)18-15-5-7-16(8-6-15)19-10-3-4-11-19/h5-9,12,14,18H,3-4,10-11H2,1-2H3
InChIKeyHPSKIYLQJQSDHD-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methylthiophen-2-yl)ethyl]-4-piperidin-1-ylaniline
CID 63992461
3-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline
CID 63993464
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
4-cyclopentylsulfanyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63991268
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
4-(difluoromethylsulfanyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993026
1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 63992626
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933
2-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]propanenitrile
CID 63991844
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186
N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43732210

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline (CID 63990671) is N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline is Cc1ccsc1C(C)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline?
The InChIKey is HPSKIYLQJQSDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-13-9-12-20-17(13)14(2)18-15-5-7-16(8-6-15)19-10-3-4-11-19/h5-9,12,14,18H,3-4,10-11H2,1-2H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline?
N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline has a molecular weight of 286.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 63990671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).