5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C18H21N — CID 54919324

IUPAC5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCc1ccc(C2(N)CCCCc3ccccc32)cc1
InChIInChI=1S/C18H21N/c1-14-9-11-16(12-10-14)18(19)13-5-4-7-15-6-2-3-8-17(15)18/h2-3,6,8-12H,4-5,7,13,19H2,1H3
InChIKeyYFFBIBYFGRIUKV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.92
Rot. Bonds1

About 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 54919324) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID54919324
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCc1ccc(C2(N)CCCCc3ccccc32)cc1
InChIInChI=1S/C18H21N/c1-14-9-11-16(12-10-14)18(19)13-5-4-7-15-6-2-3-8-17(15)18/h2-3,6,8-12H,4-5,7,13,19H2,1H3
InChIKeyYFFBIBYFGRIUKV-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 54919324) is 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is Cc1ccc(C2(N)CCCCc3ccccc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is YFFBIBYFGRIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14-9-11-16(12-10-14)18(19)13-5-4-7-15-6-2-3-8-17(15)18/h2-3,6,8-12H,4-5,7,13,19H2,1H3.
What are the key properties of 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 251.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 54919324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).