4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline

C13H14ClNS — CID 65025347

IUPAC4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline
SMILESClCc1ccc(NCCc2ccsc2)cc1
InChIInChI=1S/C13H14ClNS/c14-9-11-1-3-13(4-2-11)15-7-5-12-6-8-16-10-12/h1-4,6,8,10,15H,5,7,9H2
InChIKeyHPPQABXBICZTEX-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.14
Rot. Bonds5

About 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline

4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline (PubChem CID 65025347) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline
PubChem CID65025347
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline
SMILESClCc1ccc(NCCc2ccsc2)cc1
InChIInChI=1S/C13H14ClNS/c14-9-11-1-3-13(4-2-11)15-7-5-12-6-8-16-10-12/h1-4,6,8,10,15H,5,7,9H2
InChIKeyHPPQABXBICZTEX-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
CID 65025400
4-methylsulfonyl-N-(2-thiophen-3-ylethyl)aniline
CID 54954134
N-propyl-4-(2-thiophen-3-ylethylamino)benzenesulfonamide
CID 61474553
3-N,3-N-dimethyl-1-N-(2-thiophen-3-ylethyl)benzene-1,3-diamine
CID 113297740
6-chloro-N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715638
4-(2-thiophen-3-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62711532
4-(chloromethyl)-N-(3,3-dimethylbutyl)aniline
CID 65025573
N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide
CID 154873730
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994
N-(2-thiophen-3-ylethyl)-2H-tetrazol-5-amine
CID 164652701
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177
N-(2-pyridin-4-ylethyl)thiophen-3-amine
CID 66351702

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline?
The IUPAC name of 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline (CID 65025347) is 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline?
The canonical SMILES for 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline is ClCc1ccc(NCCc2ccsc2)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline?
The InChIKey is HPPQABXBICZTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c14-9-11-1-3-13(4-2-11)15-7-5-12-6-8-16-10-12/h1-4,6,8,10,15H,5,7,9H2.
What are the key properties of 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline?
4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline has a molecular weight of 251.78 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 65025347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).