N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline

C17H21NS — CID 43765836

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NC(c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C17H21NS/c1-13-8-10-15(11-9-13)18-17(14-5-2-3-6-14)16-7-4-12-19-16/h4,7-12,14,17-18H,2-3,5-6H2,1H3
InChIKeyXJURIWKUDYMBDW-UHFFFAOYSA-N
MW271.43 g/mol
LogP5.40
Rot. Bonds4

About N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline

N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline (PubChem CID 43765836) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
PubChem CID43765836
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NC(c2cccs2)C2CCCC2)cc1
InChIInChI=1S/C17H21NS/c1-13-8-10-15(11-9-13)18-17(14-5-2-3-6-14)16-7-4-12-19-16/h4,7-12,14,17-18H,2-3,5-6H2,1H3
InChIKeyXJURIWKUDYMBDW-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one
CID 60930788
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
CID 43775939
N-[cyclopropyl(thiophen-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62810181
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
CID 65469886
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
2-[4-[[cyclopropyl(thiophen-2-yl)methyl]amino]phenyl]ethanol
CID 54982811
N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 54983465
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethynylaniline
CID 43755560
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 63478842
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline (CID 43765836) is N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline is Cc1ccc(NC(c2cccs2)C2CCCC2)cc1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline?
The InChIKey is XJURIWKUDYMBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13-8-10-15(11-9-13)18-17(14-5-2-3-6-14)16-7-4-12-19-16/h4,7-12,14,17-18H,2-3,5-6H2,1H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline?
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline has a molecular weight of 271.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline is sourced from PubChem (CID 43765836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).