9-chloroanthracen-2-amine

C14H10ClN — CID 44724752

IUPAC9-chloroanthracen-2-amine
SMILESNc1ccc2cc3ccccc3c(Cl)c2c1
InChIInChI=1S/C14H10ClN/c15-14-12-4-2-1-3-9(12)7-10-5-6-11(16)8-13(10)14/h1-8H,16H2
InChIKeyLHALYBKBRMCIDR-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.23
Rot. Bonds

About 9-chloroanthracen-2-amine

9-chloroanthracen-2-amine (PubChem CID 44724752) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 9-chloroanthracen-2-amine.

Molecular Properties

Compound Name9-chloroanthracen-2-amine
PubChem CID44724752
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name9-chloroanthracen-2-amine
SMILESNc1ccc2cc3ccccc3c(Cl)c2c1
InChIInChI=1S/C14H10ClN/c15-14-12-4-2-1-3-9(12)7-10-5-6-11(16)8-13(10)14/h1-8H,16H2
InChIKeyLHALYBKBRMCIDR-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 54.23
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

10-chlorophenanthren-2-amine
CID 4101770
2-aminoanthracene-9-carbonitrile
CID 23131319
9-chloro-2-methoxyanthracene
CID 139968553
5,12-dichlorotetracene
CID 87498157
anthracene;1,2,3,4-tetrachloronaphthalene
CID 174900064
10-(4-aminophenyl)anthracen-2-amine
CID 59092768
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-amine
CID 176729847
1,2,10-trichloroanthracene
CID 123180958
ethane;naphthalen-2-amine
CID 70389802
anthracene-2,9,10-triamine
CID 46872427
naphthalen-1-amine;naphthalen-2-amine
CID 70377972
2-chlorotetracen-1-amine
CID 175491990

Frequently Asked Questions

What is the IUPAC name of 9-chloroanthracen-2-amine?
The IUPAC name of 9-chloroanthracen-2-amine (CID 44724752) is 9-chloroanthracen-2-amine.
What is the SMILES notation for 9-chloroanthracen-2-amine?
The canonical SMILES for 9-chloroanthracen-2-amine is Nc1ccc2cc3ccccc3c(Cl)c2c1.
What is the InChIKey of 9-chloroanthracen-2-amine?
The InChIKey is LHALYBKBRMCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-14-12-4-2-1-3-9(12)7-10-5-6-11(16)8-13(10)14/h1-8H,16H2.
What are the key properties of 9-chloroanthracen-2-amine?
9-chloroanthracen-2-amine has a molecular weight of 227.69 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloroanthracen-2-amine is sourced from PubChem (CID 44724752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).