3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine

C15H14ClNO — CID 56978617

IUPAC3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO/c16-13-5-9-15(10-6-13)18-14-7-3-12(4-8-14)2-1-11-17/h1-10H,11,17H2
InChIKeyRTOPQRARXJWWRU-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.10
Rot. Bonds4

About 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine

3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine (PubChem CID 56978617) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
PubChem CID56978617
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO/c16-13-5-9-15(10-6-13)18-14-7-3-12(4-8-14)2-1-11-17/h1-10H,11,17H2
InChIKeyRTOPQRARXJWWRU-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine (CID 56978617) is 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine is NCC=Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine?
The InChIKey is RTOPQRARXJWWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-13-5-9-15(10-6-13)18-14-7-3-12(4-8-14)2-1-11-17/h1-10H,11,17H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine?
3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine has a molecular weight of 259.74 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 56978617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).