1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine

C18H19NOS — CID 115506200

IUPAC1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc2cccc(CC(N)Cc3cccs3)c2c1
InChIInChI=1S/C18H19NOS/c1-20-16-8-7-13-4-2-5-14(18(13)12-16)10-15(19)11-17-6-3-9-21-17/h2-9,12,15H,10-11,19H2,1H3
InChIKeyAAAFGQOMPSRXPF-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.02
Rot. Bonds5

About 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine

1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine (PubChem CID 115506200) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
PubChem CID115506200
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
SMILESCOc1ccc2cccc(CC(N)Cc3cccs3)c2c1
InChIInChI=1S/C18H19NOS/c1-20-16-8-7-13-4-2-5-14(18(13)12-16)10-15(19)11-17-6-3-9-21-17/h2-9,12,15H,10-11,19H2,1H3
InChIKeyAAAFGQOMPSRXPF-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methoxynaphthalen-1-yl)-4-methylsulfonylbutan-2-amine
CID 115506223
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
1-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-2-amine
CID 117246169
1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
CID 115506237
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
1-(furan-3-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506225
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197
4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
CID 57131383
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 115506143

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine (CID 115506200) is 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine is COc1ccc2cccc(CC(N)Cc3cccs3)c2c1.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine?
The InChIKey is AAAFGQOMPSRXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-20-16-8-7-13-4-2-5-14(18(13)12-16)10-15(19)11-17-6-3-9-21-17/h2-9,12,15H,10-11,19H2,1H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine?
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine has a molecular weight of 297.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 115506200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).