3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine

C19H21NOS — CID 69262576

IUPAC3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
SMILESCc1csc(C(CCN)Oc2cccc3ccccc23)c1C
InChIInChI=1S/C19H21NOS/c1-13-12-22-19(14(13)2)18(10-11-20)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12,18H,10-11,20H2,1-2H3
InChIKeyYHZNQQMELOUFKN-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.99
Rot. Bonds5

About 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine

3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine (PubChem CID 69262576) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
PubChem CID69262576
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine
SMILESCc1csc(C(CCN)Oc2cccc3ccccc23)c1C
InChIInChI=1S/C19H21NOS/c1-13-12-22-19(14(13)2)18(10-11-20)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12,18H,10-11,20H2,1-2H3
InChIKeyYHZNQQMELOUFKN-UHFFFAOYSA-N
XLogP4.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
The IUPAC name of 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine (CID 69262576) is 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
The canonical SMILES for 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine is Cc1csc(C(CCN)Oc2cccc3ccccc23)c1C.
What is the InChIKey of 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
The InChIKey is YHZNQQMELOUFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS/c1-13-12-22-19(14(13)2)18(10-11-20)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,12,18H,10-11,20H2,1-2H3.
What are the key properties of 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine?
3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylthiophen-2-yl)-3-naphthalen-1-yloxypropan-1-amine is sourced from PubChem (CID 69262576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).