phenanthren-9-amine

C14H11N — CID 13695

IUPACphenanthren-9-amine
SMILESNc1cc2ccccc2c2ccccc12
InChIInChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2
InChIKeyKIHQWOBUUIPWAN-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.58
Rot. Bonds

About phenanthren-9-amine

phenanthren-9-amine (PubChem CID 13695) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is phenanthren-9-amine.

Molecular Properties

Compound Namephenanthren-9-amine
PubChem CID13695
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Namephenanthren-9-amine
SMILESNc1cc2ccccc2c2ccccc12
InChIInChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2
InChIKeyKIHQWOBUUIPWAN-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.58
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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Related Compounds

4-aminonaphthalene-2-thiol
CID 22336615
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
3-ethenylnaphthalen-1-amine
CID 150338788
benzo[g][1]benzofuran-5-amine
CID 141105046
tetracene-2,3-diamine
CID 101108854
naphtho[1,2-b]phenanthrene
CID 5889
oxo(phenanthren-9-yl)phosphanium
CID 174839600
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
10-chlorophenanthren-2-amine
CID 4101770
3-phenyldiazenylnaphthalen-1-amine
CID 156686979

Frequently Asked Questions

What is the IUPAC name of phenanthren-9-amine?
The IUPAC name of phenanthren-9-amine (CID 13695) is phenanthren-9-amine.
What is the SMILES notation for phenanthren-9-amine?
The canonical SMILES for phenanthren-9-amine is Nc1cc2ccccc2c2ccccc12.
What is the InChIKey of phenanthren-9-amine?
The InChIKey is KIHQWOBUUIPWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2.
What are the key properties of phenanthren-9-amine?
phenanthren-9-amine has a molecular weight of 193.25 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthren-9-amine is sourced from PubChem (CID 13695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).