4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline

C15H19ClN2S — CID 63816137

IUPAC4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H19ClN2S/c1-11(17)9-12-3-5-13(6-4-12)18(2)10-14-7-8-15(16)19-14/h3-8,11H,9-10,17H2,1-2H3
InChIKeyKEMKLOZYKMUHMN-UHFFFAOYSA-N
MW294.85 g/mol
LogP3.93
Rot. Bonds5

About 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline

4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline (PubChem CID 63816137) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
PubChem CID63816137
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
SMILESCC(N)Cc1ccc(N(C)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C15H19ClN2S/c1-11(17)9-12-3-5-13(6-4-12)18(2)10-14-7-8-15(16)19-14/h3-8,11H,9-10,17H2,1-2H3
InChIKeyKEMKLOZYKMUHMN-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline (CID 63816137) is 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline is CC(N)Cc1ccc(N(C)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
The InChIKey is KEMKLOZYKMUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11(17)9-12-3-5-13(6-4-12)18(2)10-14-7-8-15(16)19-14/h3-8,11H,9-10,17H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline?
4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline has a molecular weight of 294.85 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline is sourced from PubChem (CID 63816137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).