N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine

C18H21N — CID 3046877

IUPACN-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
SMILESCNC1CCc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C18H21N/c1-19-16-12-11-15-9-5-6-10-17(15)18(13-16)14-7-3-2-4-8-14/h2-10,16,18-19H,11-13H2,1H3
InChIKeyMZEUCORFSJWAPO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.74
Rot. Bonds2

About N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine

N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (PubChem CID 3046877) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.

Molecular Properties

Compound NameN-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
PubChem CID3046877
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
SMILESCNC1CCc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C18H21N/c1-19-16-12-11-15-9-5-6-10-17(15)18(13-16)14-7-3-2-4-8-14/h2-10,16,18-19H,11-13H2,1H3
InChIKeyMZEUCORFSJWAPO-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The IUPAC name of N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine (CID 3046877) is N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine.
What is the SMILES notation for N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The canonical SMILES for N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is CNC1CCc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
The InChIKey is MZEUCORFSJWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-19-16-12-11-15-9-5-6-10-17(15)18(13-16)14-7-3-2-4-8-14/h2-10,16,18-19H,11-13H2,1H3.
What are the key properties of N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine?
N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine has a molecular weight of 251.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine is sourced from PubChem (CID 3046877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).