2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline

C16H17Cl2NS — CID 65469886

IUPAC2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
SMILESClc1cccc(Cl)c1NC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H17Cl2NS/c17-12-7-3-8-13(18)16(12)19-15(11-5-1-2-6-11)14-9-4-10-20-14/h3-4,7-11,15,19H,1-2,5-6H2
InChIKeyZBIHVZYBAVKUGZ-UHFFFAOYSA-N
MW326.29 g/mol
LogP6.40
Rot. Bonds4

About 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline

2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline (PubChem CID 65469886) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
PubChem CID65469886
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline
SMILESClc1cccc(Cl)c1NC(c1cccs1)C1CCCC1
InChIInChI=1S/C16H17Cl2NS/c17-12-7-3-8-13(18)16(12)19-15(11-5-1-2-6-11)14-9-4-10-20-14/h3-4,7-11,15,19H,1-2,5-6H2
InChIKeyZBIHVZYBAVKUGZ-UHFFFAOYSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethynylaniline
CID 43755560
2,6-dibromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 107597366
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 106041995
N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
CID 63477350
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indazol-4-amine
CID 60932001
4-bromo-N-[cyclopentyl(thiophen-2-yl)methyl]-2,5-difluoroaniline
CID 107609695
N-[cyclopentyl(thiophen-2-yl)methyl]-2-nitroaniline
CID 43785516

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline (CID 65469886) is 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline is Clc1cccc(Cl)c1NC(c1cccs1)C1CCCC1.
What is the InChIKey of 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline?
The InChIKey is ZBIHVZYBAVKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c17-12-7-3-8-13(18)16(12)19-15(11-5-1-2-6-11)14-9-4-10-20-14/h3-4,7-11,15,19H,1-2,5-6H2.
What are the key properties of 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline?
2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline has a molecular weight of 326.29 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]aniline is sourced from PubChem (CID 65469886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).