3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C20H25N — CID 79736974

IUPAC3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CC(Cc2ccccc2)C1C
InChIInChI=1S/C20H25N/c1-3-21-20-15(2)18(13-16-9-5-4-6-10-16)14-17-11-7-8-12-19(17)20/h4-12,15,18,20-21H,3,13-14H2,1-2H3
InChIKeyCOVDIJBRPGPGHQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.39
Rot. Bonds4

About 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79736974) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79736974
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CC(Cc2ccccc2)C1C
InChIInChI=1S/C20H25N/c1-3-21-20-15(2)18(13-16-9-5-4-6-10-16)14-17-11-7-8-12-19(17)20/h4-12,15,18,20-21H,3,13-14H2,1-2H3
InChIKeyCOVDIJBRPGPGHQ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79736974) is 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CC(Cc2ccccc2)C1C.
What is the InChIKey of 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is COVDIJBRPGPGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-21-20-15(2)18(13-16-9-5-4-6-10-16)14-17-11-7-8-12-19(17)20/h4-12,15,18,20-21H,3,13-14H2,1-2H3.
What are the key properties of 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-ethyl-2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79736974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).