1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

C15H16ClNOS — CID 107359302

IUPAC1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1sccc1Cl)CCC2
InChIInChI=1S/C15H16ClNOS/c1-18-11-5-4-10-3-2-7-15(17,12(10)9-11)14-13(16)6-8-19-14/h4-6,8-9H,2-3,7,17H2,1H3
InChIKeyKEWWGJKOIZWNIE-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.95
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 107359302) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID107359302
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1sccc1Cl)CCC2
InChIInChI=1S/C15H16ClNOS/c1-18-11-5-4-10-3-2-7-15(17,12(10)9-11)14-13(16)6-8-19-14/h4-6,8-9H,2-3,7,17H2,1H3
InChIKeyKEWWGJKOIZWNIE-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (CID 107359302) is 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(N)(c1sccc1Cl)CCC2.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is KEWWGJKOIZWNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-11-5-4-10-3-2-7-15(17,12(10)9-11)14-13(16)6-8-19-14/h4-6,8-9H,2-3,7,17H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 293.82 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 107359302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).