3,4-dihydronaphthalen-1-ylmethanamine;ethane

C13H19N — CID 91513881

IUPAC3,4-dihydronaphthalen-1-ylmethanamine;ethane
SMILESCC.NCC1=CCCc2ccccc21
InChIInChI=1S/C11H13N.C2H6/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-2/h1-2,4,6-7H,3,5,8,12H2;1-2H3
InChIKeyANENGDPXIXXJJD-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.00
Rot. Bonds1

About 3,4-dihydronaphthalen-1-ylmethanamine;ethane

3,4-dihydronaphthalen-1-ylmethanamine;ethane (PubChem CID 91513881) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3,4-dihydronaphthalen-1-ylmethanamine;ethane.

Molecular Properties

Compound Name3,4-dihydronaphthalen-1-ylmethanamine;ethane
PubChem CID91513881
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3,4-dihydronaphthalen-1-ylmethanamine;ethane
SMILESCC.NCC1=CCCc2ccccc21
InChIInChI=1S/C11H13N.C2H6/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-2/h1-2,4,6-7H,3,5,8,12H2;1-2H3
InChIKeyANENGDPXIXXJJD-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydronaphthalen-1-ylmethanamine;ethane?
The IUPAC name of 3,4-dihydronaphthalen-1-ylmethanamine;ethane (CID 91513881) is 3,4-dihydronaphthalen-1-ylmethanamine;ethane.
What is the SMILES notation for 3,4-dihydronaphthalen-1-ylmethanamine;ethane?
The canonical SMILES for 3,4-dihydronaphthalen-1-ylmethanamine;ethane is CC.NCC1=CCCc2ccccc21.
What is the InChIKey of 3,4-dihydronaphthalen-1-ylmethanamine;ethane?
The InChIKey is ANENGDPXIXXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C2H6/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-2/h1-2,4,6-7H,3,5,8,12H2;1-2H3.
What are the key properties of 3,4-dihydronaphthalen-1-ylmethanamine;ethane?
3,4-dihydronaphthalen-1-ylmethanamine;ethane has a molecular weight of 189.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydronaphthalen-1-ylmethanamine;ethane is sourced from PubChem (CID 91513881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).