4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine

C13H14ClNOS — CID 23457248

IUPAC4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine
SMILESCOc1ccc(Nc2cscc2CCl)c(C)c1
InChIInChI=1S/C13H14ClNOS/c1-9-5-11(16-2)3-4-12(9)15-13-8-17-7-10(13)6-14/h3-5,7-8,15H,6H2,1-2H3
InChIKeyHSNIXASLMPPSHF-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.55
Rot. Bonds4

About 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine

4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine (PubChem CID 23457248) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine
PubChem CID23457248
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine
SMILESCOc1ccc(Nc2cscc2CCl)c(C)c1
InChIInChI=1S/C13H14ClNOS/c1-9-5-11(16-2)3-4-12(9)15-13-8-17-7-10(13)6-14/h3-5,7-8,15H,6H2,1-2H3
InChIKeyHSNIXASLMPPSHF-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 62872274
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
CID 82237771
2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
CID 102768352
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
5-ethyl-N-(4-methoxy-2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113492467

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine?
The IUPAC name of 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine (CID 23457248) is 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine is COc1ccc(Nc2cscc2CCl)c(C)c1.
What is the InChIKey of 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine?
The InChIKey is HSNIXASLMPPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9-5-11(16-2)3-4-12(9)15-13-8-17-7-10(13)6-14/h3-5,7-8,15H,6H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine?
4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine has a molecular weight of 267.78 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(4-methoxy-2-methylphenyl)thiophen-3-amine is sourced from PubChem (CID 23457248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).