N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine

C18H21N — CID 59666288

IUPACN-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC1CCc2cccc(NCc3ccccc3)c2C1
InChIInChI=1S/C18H21N/c1-14-10-11-16-8-5-9-18(17(16)12-14)19-13-15-6-3-2-4-7-15/h2-9,14,19H,10-13H2,1H3
InChIKeyXVJHUXLSPUSGCI-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.42
Rot. Bonds3

About N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine

N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 59666288) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID59666288
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC1CCc2cccc(NCc3ccccc3)c2C1
InChIInChI=1S/C18H21N/c1-14-10-11-16-8-5-9-18(17(16)12-14)19-13-15-6-3-2-4-7-15/h2-9,14,19H,10-13H2,1H3
InChIKeyXVJHUXLSPUSGCI-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine (CID 59666288) is N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine is CC1CCc2cccc(NCc3ccccc3)c2C1.
What is the InChIKey of N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is XVJHUXLSPUSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-10-11-16-8-5-9-18(17(16)12-14)19-13-15-6-3-2-4-7-15/h2-9,14,19H,10-13H2,1H3.
What are the key properties of N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine?
N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methyl-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 59666288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).