9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine

C14H14ClN — CID 79597194

IUPAC9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine
SMILESNC1CCCc2c1cc(Cl)c1ccccc21
InChIInChI=1S/C14H14ClN/c15-13-8-12-10(6-3-7-14(12)16)9-4-1-2-5-11(9)13/h1-2,4-5,8,14H,3,6-7,16H2
InChIKeyWUCGYNNPSJVBOY-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.83
Rot. Bonds

About 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine

9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine (PubChem CID 79597194) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine.

Molecular Properties

Compound Name9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine
PubChem CID79597194
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine
SMILESNC1CCCc2c1cc(Cl)c1ccccc21
InChIInChI=1S/C14H14ClN/c15-13-8-12-10(6-3-7-14(12)16)9-4-1-2-5-11(9)13/h1-2,4-5,8,14H,3,6-7,16H2
InChIKeyWUCGYNNPSJVBOY-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine?
The IUPAC name of 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine (CID 79597194) is 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine.
What is the SMILES notation for 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine?
The canonical SMILES for 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine is NC1CCCc2c1cc(Cl)c1ccccc21.
What is the InChIKey of 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine?
The InChIKey is WUCGYNNPSJVBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c15-13-8-12-10(6-3-7-14(12)16)9-4-1-2-5-11(9)13/h1-2,4-5,8,14H,3,6-7,16H2.
What are the key properties of 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine?
9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine has a molecular weight of 231.73 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine is sourced from PubChem (CID 79597194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).