11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine

C16H16N2 — CID 144662163

IUPAC11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine
SMILESC=C1Cc2cc(N)ccc2Cc2ccccc2N1
InChIInChI=1S/C16H16N2/c1-11-8-14-10-15(17)7-6-12(14)9-13-4-2-3-5-16(13)18-11/h2-7,10,18H,1,8-9,17H2
InChIKeyNZKBZAPMZUPXEP-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.34
Rot. Bonds

About 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine

11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine (PubChem CID 144662163) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine.

Molecular Properties

Compound Name11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine
PubChem CID144662163
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine
SMILESC=C1Cc2cc(N)ccc2Cc2ccccc2N1
InChIInChI=1S/C16H16N2/c1-11-8-14-10-15(17)7-6-12(14)9-13-4-2-3-5-16(13)18-11/h2-7,10,18H,1,8-9,17H2
InChIKeyNZKBZAPMZUPXEP-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine?
The IUPAC name of 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine (CID 144662163) is 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine.
What is the SMILES notation for 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine?
The canonical SMILES for 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine is C=C1Cc2cc(N)ccc2Cc2ccccc2N1.
What is the InChIKey of 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine?
The InChIKey is NZKBZAPMZUPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-8-14-10-15(17)7-6-12(14)9-13-4-2-3-5-16(13)18-11/h2-7,10,18H,1,8-9,17H2.
What are the key properties of 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine?
11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 3.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine is sourced from PubChem (CID 144662163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).