[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine

C13H14ClN — CID 66735510

IUPAC[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNC[C@@]1(c2ccc(Cl)cc2)C=CC=CC1
InChIInChI=1S/C13H14ClN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h1-8H,9-10,15H2/t13-/m1/s1
InChIKeyUGAGFJMVAJYYEN-CYBMUJFWSA-N
MW219.72 g/mol
LogP3.05
Rot. Bonds2

About [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine

[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 66735510) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID66735510
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNC[C@@]1(c2ccc(Cl)cc2)C=CC=CC1
InChIInChI=1S/C13H14ClN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h1-8H,9-10,15H2/t13-/m1/s1
InChIKeyUGAGFJMVAJYYEN-CYBMUJFWSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine (CID 66735510) is [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine is NC[C@@]1(c2ccc(Cl)cc2)C=CC=CC1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is UGAGFJMVAJYYEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14ClN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h1-8H,9-10,15H2/t13-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine?
[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 219.72 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 66735510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).