1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine

C15H18ClNS — CID 62899977

IUPAC1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2ccc(Cl)s2)cc1C
InChIInChI=1S/C15H18ClNS/c1-10-3-4-12(7-11(10)2)8-13(17)9-14-5-6-15(16)18-14/h3-7,13H,8-9,17H2,1-2H3
InChIKeyOPKHTJVOCOUQNC-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.13
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine

1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 62899977) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
PubChem CID62899977
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2ccc(Cl)s2)cc1C
InChIInChI=1S/C15H18ClNS/c1-10-3-4-12(7-11(10)2)8-13(17)9-14-5-6-15(16)18-14/h3-7,13H,8-9,17H2,1-2H3
InChIKeyOPKHTJVOCOUQNC-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 62899782
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-[3-bromo-4-[(5-chlorothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 63421902
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105135075
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131827
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine (CID 62899977) is 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(CC(N)Cc2ccc(Cl)s2)cc1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is OPKHTJVOCOUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-10-3-4-12(7-11(10)2)8-13(17)9-14-5-6-15(16)18-14/h3-7,13H,8-9,17H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine?
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 279.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 62899977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).