3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine

C14H20N2O — CID 10681104

IUPAC3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
SMILESCOc1ccc2c(c1)CCC(CC(N)CN)=C2
InChIInChI=1S/C14H20N2O/c1-17-14-5-4-11-6-10(7-13(16)9-15)2-3-12(11)8-14/h4-6,8,13H,2-3,7,9,15-16H2,1H3
InChIKeyQLDTUYDSRRMINB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.70
Rot. Bonds4

About 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine

3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine (PubChem CID 10681104) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
PubChem CID10681104
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
SMILESCOc1ccc2c(c1)CCC(CC(N)CN)=C2
InChIInChI=1S/C14H20N2O/c1-17-14-5-4-11-6-10(7-13(16)9-15)2-3-12(11)8-14/h4-6,8,13H,2-3,7,9,15-16H2,1H3
InChIKeyQLDTUYDSRRMINB-UHFFFAOYSA-N
XLogP1.70
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(7-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 129386115
3-(6-fluoro-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 10536906
2-(7-methoxy-3,4-dihydronaphthalen-2-yl)ethanamine
CID 83832198
2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
7-methoxy-3-(1-methoxypropyl)-1,2-dihydronaphthalene
CID 143846492
7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
CID 132552094
2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
CID 143787705
3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 57081453
1-(6-methoxy-3,4-dihydronaphthalen-2-yl)ethylurea
CID 152747543
1-[(6-butoxy-3,4-dihydronaphthalen-2-yl)methyl]-1-hydroxyurea
CID 19788833
13-methoxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),2,12,14-tetraen-5-one
CID 3662313
(3-methoxyphenyl) 6-(difluoromethoxy)-3,4-dihydronaphthalene-2-sulfonate
CID 60606725

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The IUPAC name of 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine (CID 10681104) is 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The canonical SMILES for 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine is COc1ccc2c(c1)CCC(CC(N)CN)=C2.
What is the InChIKey of 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
The InChIKey is QLDTUYDSRRMINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-14-5-4-11-6-10(7-13(16)9-15)2-3-12(11)8-14/h4-6,8,13H,2-3,7,9,15-16H2,1H3.
What are the key properties of 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine?
3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine is sourced from PubChem (CID 10681104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).