N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C13H16ClNS2 — CID 79419287

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cc(Cl)cs1)c1cccs1
InChIInChI=1S/C13H16ClNS2/c1-9(2)13(12-4-3-5-16-12)15-7-11-6-10(14)8-17-11/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyHPGQHPJYKBZWCC-UHFFFAOYSA-N
MW285.87 g/mol
LogP4.95
Rot. Bonds5

About N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 79419287) has the molecular formula C13H16ClNS2 and a molecular weight of 285.87 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID79419287
Molecular FormulaC13H16ClNS2
Molecular Weight285.87 g/mol
Exact Mass285.04
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1cc(Cl)cs1)c1cccs1
InChIInChI=1S/C13H16ClNS2/c1-9(2)13(12-4-3-5-16-12)15-7-11-6-10(14)8-17-11/h3-6,8-9,13,15H,7H2,1-2H3
InChIKeyHPGQHPJYKBZWCC-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 115761561
N'-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79420563
N-[(2-chloro-4-methylphenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 106862511
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
(1R)-1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81377663
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 79419831
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 79002812
2-chloro-6-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 112553966

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 79419287) is N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1cc(Cl)cs1)c1cccs1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is HPGQHPJYKBZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS2/c1-9(2)13(12-4-3-5-16-12)15-7-11-6-10(14)8-17-11/h3-6,8-9,13,15H,7H2,1-2H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 285.87 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79419287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).