6-bromophenanthren-3-amine

C14H10BrN — CID 163359562

IUPAC6-bromophenanthren-3-amine
SMILESNc1ccc2ccc3ccc(Br)cc3c2c1
InChIInChI=1S/C14H10BrN/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)13(9)7-11/h1-8H,16H2
InChIKeyOKSRWEZTJJFLAE-UHFFFAOYSA-N
MW272.15 g/mol
LogP4.34
Rot. Bonds

About 6-bromophenanthren-3-amine

6-bromophenanthren-3-amine (PubChem CID 163359562) has the molecular formula C14H10BrN and a molecular weight of 272.15 g/mol. Its IUPAC name is 6-bromophenanthren-3-amine.

Molecular Properties

Compound Name6-bromophenanthren-3-amine
PubChem CID163359562
Molecular FormulaC14H10BrN
Molecular Weight272.15 g/mol
Exact Mass271.00
IUPAC Name6-bromophenanthren-3-amine
SMILESNc1ccc2ccc3ccc(Br)cc3c2c1
InChIInChI=1S/C14H10BrN/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)13(9)7-11/h1-8H,16H2
InChIKeyOKSRWEZTJJFLAE-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 54.34
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

2-bromonaphthalene;naphthalen-2-amine
CID 173256216
6-bromo-4-fluoronaphthalen-2-amine
CID 115043475
ethane;6-methylphenanthren-3-amine
CID 144939359
1,2,7-tribromonaphthalene
CID 150191333
naphthalene-1,2,7-triamine
CID 19078044
2-bromodibenzofuran;naphthalen-2-amine
CID 175083033
6-bromo-2-methylphenanthrene
CID 15159136
2,6-dibromonaphthalene
CID 640591
8-bromobenzo[e][1]benzothiole
CID 821946
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-5,19-diamine
CID 176729850
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
(6-bromophenanthren-2-yl)methanol
CID 15159139

Frequently Asked Questions

What is the IUPAC name of 6-bromophenanthren-3-amine?
The IUPAC name of 6-bromophenanthren-3-amine (CID 163359562) is 6-bromophenanthren-3-amine.
What is the SMILES notation for 6-bromophenanthren-3-amine?
The canonical SMILES for 6-bromophenanthren-3-amine is Nc1ccc2ccc3ccc(Br)cc3c2c1.
What is the InChIKey of 6-bromophenanthren-3-amine?
The InChIKey is OKSRWEZTJJFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN/c15-11-5-3-9-1-2-10-4-6-12(16)8-14(10)13(9)7-11/h1-8H,16H2.
What are the key properties of 6-bromophenanthren-3-amine?
6-bromophenanthren-3-amine has a molecular weight of 272.15 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromophenanthren-3-amine is sourced from PubChem (CID 163359562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).