(3-chloro-4-phenoxyphenyl)methanamine

C13H12ClNO — CID 63087694

IUPAC(3-chloro-4-phenoxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-8H,9,15H2
InChIKeyHYDHGFACVHOYJY-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.59
Rot. Bonds3

About (3-chloro-4-phenoxyphenyl)methanamine

(3-chloro-4-phenoxyphenyl)methanamine (PubChem CID 63087694) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (3-chloro-4-phenoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-phenoxyphenyl)methanamine
PubChem CID63087694
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(3-chloro-4-phenoxyphenyl)methanamine
SMILESNCc1ccc(Oc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H12ClNO/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-8H,9,15H2
InChIKeyHYDHGFACVHOYJY-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-phenoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-phenoxyphenyl)methanamine (CID 63087694) is (3-chloro-4-phenoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-phenoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-phenoxyphenyl)methanamine is NCc1ccc(Oc2ccccc2)c(Cl)c1.
What is the InChIKey of (3-chloro-4-phenoxyphenyl)methanamine?
The InChIKey is HYDHGFACVHOYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h1-8H,9,15H2.
What are the key properties of (3-chloro-4-phenoxyphenyl)methanamine?
(3-chloro-4-phenoxyphenyl)methanamine has a molecular weight of 233.70 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-phenoxyphenyl)methanamine is sourced from PubChem (CID 63087694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).