N-(3-phenanthren-9-ylpropyl)aniline

C23H21N — CID 86246592

IUPACN-(3-phenanthren-9-ylpropyl)aniline
SMILESc1ccc(NCCCc2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C23H21N/c1-2-11-20(12-3-1)24-16-8-10-19-17-18-9-4-5-13-21(18)23-15-7-6-14-22(19)23/h1-7,9,11-15,17,24H,8,10,16H2
InChIKeySVWAVXLWRJNBIA-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.04
Rot. Bonds5

About N-(3-phenanthren-9-ylpropyl)aniline

N-(3-phenanthren-9-ylpropyl)aniline (PubChem CID 86246592) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3-phenanthren-9-ylpropyl)aniline.

Molecular Properties

Compound NameN-(3-phenanthren-9-ylpropyl)aniline
PubChem CID86246592
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN-(3-phenanthren-9-ylpropyl)aniline
SMILESc1ccc(NCCCc2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C23H21N/c1-2-11-20(12-3-1)24-16-8-10-19-17-18-9-4-5-13-21(18)23-15-7-6-14-22(19)23/h1-7,9,11-15,17,24H,8,10,16H2
InChIKeySVWAVXLWRJNBIA-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenanthren-9-ylpropyl)aniline?
The IUPAC name of N-(3-phenanthren-9-ylpropyl)aniline (CID 86246592) is N-(3-phenanthren-9-ylpropyl)aniline.
What is the SMILES notation for N-(3-phenanthren-9-ylpropyl)aniline?
The canonical SMILES for N-(3-phenanthren-9-ylpropyl)aniline is c1ccc(NCCCc2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(3-phenanthren-9-ylpropyl)aniline?
The InChIKey is SVWAVXLWRJNBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-2-11-20(12-3-1)24-16-8-10-19-17-18-9-4-5-13-21(18)23-15-7-6-14-22(19)23/h1-7,9,11-15,17,24H,8,10,16H2.
What are the key properties of N-(3-phenanthren-9-ylpropyl)aniline?
N-(3-phenanthren-9-ylpropyl)aniline has a molecular weight of 311.43 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenanthren-9-ylpropyl)aniline is sourced from PubChem (CID 86246592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).