N,N-dimethyl-1-phenylanthracen-2-amine

C22H19N — CID 175971860

IUPACN,N-dimethyl-1-phenylanthracen-2-amine
SMILESCN(C)c1ccc2cc3ccccc3cc2c1-c1ccccc1
InChIInChI=1S/C22H19N/c1-23(2)21-13-12-19-14-17-10-6-7-11-18(17)15-20(19)22(21)16-8-4-3-5-9-16/h3-15H,1-2H3
InChIKeyQEXDULFSFGXRSG-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.73
Rot. Bonds2

About N,N-dimethyl-1-phenylanthracen-2-amine

N,N-dimethyl-1-phenylanthracen-2-amine (PubChem CID 175971860) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylanthracen-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylanthracen-2-amine
PubChem CID175971860
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-1-phenylanthracen-2-amine
SMILESCN(C)c1ccc2cc3ccccc3cc2c1-c1ccccc1
InChIInChI=1S/C22H19N/c1-23(2)21-13-12-19-14-17-10-6-7-11-18(17)15-20(19)22(21)16-8-4-3-5-9-16/h3-15H,1-2H3
InChIKeyQEXDULFSFGXRSG-UHFFFAOYSA-N
XLogP5.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N,N,1-triphenylanthracen-2-amine
CID 87853759
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
1,2-diphenylpentacene
CID 22247158
2-tert-butyl-1-(4-phenylphenyl)anthracene
CID 154099301
1-phenylanthracene-2-carbonitrile
CID 175261517
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
2-phenylanthracen-1-ol
CID 54315343
N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-phenylanthracen-9-amine
CID 164774115
4-N-[4-(2-tert-butylanthracen-1-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 87488226
6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
3-phenylbenzo[a]anthracene
CID 59412661

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylanthracen-2-amine?
The IUPAC name of N,N-dimethyl-1-phenylanthracen-2-amine (CID 175971860) is N,N-dimethyl-1-phenylanthracen-2-amine.
What is the SMILES notation for N,N-dimethyl-1-phenylanthracen-2-amine?
The canonical SMILES for N,N-dimethyl-1-phenylanthracen-2-amine is CN(C)c1ccc2cc3ccccc3cc2c1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenylanthracen-2-amine?
The InChIKey is QEXDULFSFGXRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-23(2)21-13-12-19-14-17-10-6-7-11-18(17)15-20(19)22(21)16-8-4-3-5-9-16/h3-15H,1-2H3.
What are the key properties of N,N-dimethyl-1-phenylanthracen-2-amine?
N,N-dimethyl-1-phenylanthracen-2-amine has a molecular weight of 297.40 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylanthracen-2-amine is sourced from PubChem (CID 175971860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).