4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C20H25N — CID 115418181

IUPAC4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1cccc(NC2CCC(C)c3ccccc32)c1
InChIInChI=1S/C20H25N/c1-14(2)16-7-6-8-17(13-16)21-20-12-11-15(3)18-9-4-5-10-19(18)20/h4-10,13-15,20-21H,11-12H2,1-3H3
InChIKeyOUZUHDOGRXYUDB-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.86
Rot. Bonds3

About 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418181) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418181
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1cccc(NC2CCC(C)c3ccccc32)c1
InChIInChI=1S/C20H25N/c1-14(2)16-7-6-8-17(13-16)21-20-12-11-15(3)18-9-4-5-10-19(18)20/h4-10,13-15,20-21H,11-12H2,1-3H3
InChIKeyOUZUHDOGRXYUDB-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418181) is 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)c1cccc(NC2CCC(C)c3ccccc32)c1.
What is the InChIKey of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OUZUHDOGRXYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)16-7-6-8-17(13-16)21-20-12-11-15(3)18-9-4-5-10-19(18)20/h4-10,13-15,20-21H,11-12H2,1-3H3.
What are the key properties of 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 279.43 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).