10-chlorophenanthren-2-amine

C14H10ClN — CID 4101770

IUPAC10-chlorophenanthren-2-amine
SMILESNc1ccc2c(c1)c(Cl)cc1ccccc12
InChIInChI=1S/C14H10ClN/c15-14-7-9-3-1-2-4-11(9)12-6-5-10(16)8-13(12)14/h1-8H,16H2
InChIKeyBENFVMVIBTVCTN-UHFFFAOYSA-N
MW227.69 g/mol
LogP4.23
Rot. Bonds

About 10-chlorophenanthren-2-amine

10-chlorophenanthren-2-amine (PubChem CID 4101770) has the molecular formula C14H10ClN and a molecular weight of 227.69 g/mol. Its IUPAC name is 10-chlorophenanthren-2-amine.

Molecular Properties

Compound Name10-chlorophenanthren-2-amine
PubChem CID4101770
Molecular FormulaC14H10ClN
Molecular Weight227.69 g/mol
Exact Mass227.05
IUPAC Name10-chlorophenanthren-2-amine
SMILESNc1ccc2c(c1)c(Cl)cc1ccccc12
InChIInChI=1S/C14H10ClN/c15-14-7-9-3-1-2-4-11(9)12-6-5-10(16)8-13(12)14/h1-8H,16H2
InChIKeyBENFVMVIBTVCTN-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-chlorophenanthren-2-amine?
The IUPAC name of 10-chlorophenanthren-2-amine (CID 4101770) is 10-chlorophenanthren-2-amine.
What is the SMILES notation for 10-chlorophenanthren-2-amine?
The canonical SMILES for 10-chlorophenanthren-2-amine is Nc1ccc2c(c1)c(Cl)cc1ccccc12.
What is the InChIKey of 10-chlorophenanthren-2-amine?
The InChIKey is BENFVMVIBTVCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN/c15-14-7-9-3-1-2-4-11(9)12-6-5-10(16)8-13(12)14/h1-8H,16H2.
What are the key properties of 10-chlorophenanthren-2-amine?
10-chlorophenanthren-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 10-chlorophenanthren-2-amine is sourced from PubChem (CID 4101770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).