2-chlorotetracen-1-amine

C18H12ClN — CID 175491990

IUPAC2-chlorotetracen-1-amine
SMILESNc1c(Cl)ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C18H12ClN/c19-17-6-5-13-9-14-7-11-3-1-2-4-12(11)8-15(14)10-16(13)18(17)20/h1-10H,20H2
InChIKeyAZAYSRRXRHXUSB-UHFFFAOYSA-N
MW277.75 g/mol
LogP5.38
Rot. Bonds

About 2-chlorotetracen-1-amine

2-chlorotetracen-1-amine (PubChem CID 175491990) has the molecular formula C18H12ClN and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chlorotetracen-1-amine.

Molecular Properties

Compound Name2-chlorotetracen-1-amine
PubChem CID175491990
Molecular FormulaC18H12ClN
Molecular Weight277.75 g/mol
Exact Mass277.07
IUPAC Name2-chlorotetracen-1-amine
SMILESNc1c(Cl)ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C18H12ClN/c19-17-6-5-13-9-14-7-11-3-1-2-4-12(11)8-15(14)10-16(13)18(17)20/h1-10H,20H2
InChIKeyAZAYSRRXRHXUSB-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.75
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5'-Amino-4-chloro-1,1':3',1''-terphenyl-4',6'-dicarbonitrile
CID 690033
Benz(a)anthracen-7-amine
CID 75422
5-Naphthacenamine
CID 88593901
7-Chloronaphthalen-1-amine
CID 12347530
6-Chloronaphthalen-1-amine
CID 23423648
C14H9Cl2N
CID 21670807
1-Amino-2-chloronaphthalene
CID 12244452
10-Phenyl-9-anthracenamine
CID 12601740
(E)-1-(2-Chloronaphthalen-1-yl)-2-(3-chlorophenyl)diazene
CID 13684882
(2-Chloronaphthalen-1-yl)-(4-chlorophenyl)diazene
CID 13796690
2,3-Diphenyl-1-naphthylamine
CID 53795433
2-Chloro-4,6-diphenylaniline
CID 59080086

Frequently Asked Questions

What is the IUPAC name of 2-chlorotetracen-1-amine?
The IUPAC name of 2-chlorotetracen-1-amine (CID 175491990) is 2-chlorotetracen-1-amine.
What is the SMILES notation for 2-chlorotetracen-1-amine?
The canonical SMILES for 2-chlorotetracen-1-amine is Nc1c(Cl)ccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 2-chlorotetracen-1-amine?
The InChIKey is AZAYSRRXRHXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN/c19-17-6-5-13-9-14-7-11-3-1-2-4-12(11)8-15(14)10-16(13)18(17)20/h1-10H,20H2.
What are the key properties of 2-chlorotetracen-1-amine?
2-chlorotetracen-1-amine has a molecular weight of 277.75 g/mol, XLogP of 5.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorotetracen-1-amine is sourced from PubChem (CID 175491990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).