N-ethyl-N-phenylphenanthren-9-amine

C22H19N — CID 126656555

IUPACN-ethyl-N-phenylphenanthren-9-amine
SMILESCCN(c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C22H19N/c1-2-23(18-11-4-3-5-12-18)22-16-17-10-6-7-13-19(17)20-14-8-9-15-21(20)22/h3-16H,2H2,1H3
InChIKeyMVEUOZQIQIBKJR-UHFFFAOYSA-N
MW297.40 g/mol
LogP6.15
Rot. Bonds3

About N-ethyl-N-phenylphenanthren-9-amine

N-ethyl-N-phenylphenanthren-9-amine (PubChem CID 126656555) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N-ethyl-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-ethyl-N-phenylphenanthren-9-amine
PubChem CID126656555
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-N-phenylphenanthren-9-amine
SMILESCCN(c1ccccc1)c1cc2ccccc2c2ccccc12
InChIInChI=1S/C22H19N/c1-2-23(18-11-4-3-5-12-18)22-16-17-10-6-7-13-19(17)20-14-8-9-15-21(20)22/h3-16H,2H2,1H3
InChIKeyMVEUOZQIQIBKJR-UHFFFAOYSA-N
XLogP6.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-methyl-N-phenylphenanthren-9-amine
CID 22944746
9-N,10-N-di(phenanthren-9-yl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665524
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
[4-(N-ethylanilino)quinolin-2-yl]methanol
CID 63376096
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
N,N-bis(4-tert-butylphenyl)phenanthren-9-amine
CID 177481694
4-N,20-N-di(phenanthren-9-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263128
N-methyl-N-naphthalen-1-ylphenanthren-9-amine
CID 18740121
1-phenanthren-9-yl-1-(4-phenylphenyl)hydrazine
CID 146413407
N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
CID 59431534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenylphenanthren-9-amine?
The IUPAC name of N-ethyl-N-phenylphenanthren-9-amine (CID 126656555) is N-ethyl-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-ethyl-N-phenylphenanthren-9-amine?
The canonical SMILES for N-ethyl-N-phenylphenanthren-9-amine is CCN(c1ccccc1)c1cc2ccccc2c2ccccc12.
What is the InChIKey of N-ethyl-N-phenylphenanthren-9-amine?
The InChIKey is MVEUOZQIQIBKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-2-23(18-11-4-3-5-12-18)22-16-17-10-6-7-13-19(17)20-14-8-9-15-21(20)22/h3-16H,2H2,1H3.
What are the key properties of N-ethyl-N-phenylphenanthren-9-amine?
N-ethyl-N-phenylphenanthren-9-amine has a molecular weight of 297.40 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenylphenanthren-9-amine is sourced from PubChem (CID 126656555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).