1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine

C17H18ClNO — CID 114519957

IUPAC1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccc(OC3CC3)cc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c1-11(19)16-9-4-13(10-17(16)18)12-2-5-14(6-3-12)20-15-7-8-15/h2-6,9-11,15H,7-8,19H2,1H3
InChIKeyUPGQCEZMTIQHFP-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.57
Rot. Bonds4

About 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine

1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine (PubChem CID 114519957) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine
PubChem CID114519957
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccc(OC3CC3)cc2)cc1Cl
InChIInChI=1S/C17H18ClNO/c1-11(19)16-9-4-13(10-17(16)18)12-2-5-14(6-3-12)20-15-7-8-15/h2-6,9-11,15H,7-8,19H2,1H3
InChIKeyUPGQCEZMTIQHFP-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine (CID 114519957) is 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine is CC(N)c1ccc(-c2ccc(OC3CC3)cc2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine?
The InChIKey is UPGQCEZMTIQHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11(19)16-9-4-13(10-17(16)18)12-2-5-14(6-3-12)20-15-7-8-15/h2-6,9-11,15H,7-8,19H2,1H3.
What are the key properties of 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine?
1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine has a molecular weight of 287.79 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 114519957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).