1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine

C17H23NO2 — CID 115506207

IUPAC1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
SMILESCOc1ccc2cccc(CC(N)COC(C)C)c2c1
InChIInChI=1S/C17H23NO2/c1-12(2)20-11-15(18)9-14-6-4-5-13-7-8-16(19-3)10-17(13)14/h4-8,10,12,15H,9,11,18H2,1-3H3
InChIKeyKRHJTNYKUFKTOQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.14
Rot. Bonds6

About 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine

1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine (PubChem CID 115506207) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
PubChem CID115506207
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
SMILESCOc1ccc2cccc(CC(N)COC(C)C)c2c1
InChIInChI=1S/C17H23NO2/c1-12(2)20-11-15(18)9-14-6-4-5-13-7-8-16(19-3)10-17(13)14/h4-8,10,12,15H,9,11,18H2,1-3H3
InChIKeyKRHJTNYKUFKTOQ-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-(7-methoxynaphthalen-1-yl)-4-methylsulfonylbutan-2-amine
CID 115506223
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
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
4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
CID 57131383
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
1-(furan-3-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506225
1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
CID 83148133

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine (CID 115506207) is 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine is COc1ccc2cccc(CC(N)COC(C)C)c2c1.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is KRHJTNYKUFKTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)20-11-15(18)9-14-6-4-5-13-7-8-16(19-3)10-17(13)14/h4-8,10,12,15H,9,11,18H2,1-3H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine?
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.14, 6 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-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 115506207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).