2-[3-(3-chlorophenoxy)phenyl]ethanamine

C14H14ClNO — CID 63943128

IUPAC2-[3-(3-chlorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C14H14ClNO/c15-12-4-2-6-14(10-12)17-13-5-1-3-11(9-13)7-8-16/h1-6,9-10H,7-8,16H2
InChIKeySFDMRMORYYUNFD-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.63
Rot. Bonds4

About 2-[3-(3-chlorophenoxy)phenyl]ethanamine

2-[3-(3-chlorophenoxy)phenyl]ethanamine (PubChem CID 63943128) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)phenyl]ethanamine
PubChem CID63943128
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-[3-(3-chlorophenoxy)phenyl]ethanamine
SMILESNCCc1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C14H14ClNO/c15-12-4-2-6-14(10-12)17-13-5-1-3-11(9-13)7-8-16/h1-6,9-10H,7-8,16H2
InChIKeySFDMRMORYYUNFD-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 63942155
2-[3-(4-chloro-2-methylphenoxy)phenyl]ethanamine
CID 63941169
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
2-[3-(4-ethoxyphenoxy)phenyl]ethanamine
CID 63941757
2-(3-chlorophenyl)ethanamine;4-phenoxybenzaldehyde
CID 23291749
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[3-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63942549
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
2-[3-(2-iodophenoxy)phenyl]ethanamine
CID 63941765

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(3-chlorophenoxy)phenyl]ethanamine (CID 63943128) is 2-[3-(3-chlorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3-chlorophenoxy)phenyl]ethanamine is NCCc1cccc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)phenyl]ethanamine?
The InChIKey is SFDMRMORYYUNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-12-4-2-6-14(10-12)17-13-5-1-3-11(9-13)7-8-16/h1-6,9-10H,7-8,16H2.
What are the key properties of 2-[3-(3-chlorophenoxy)phenyl]ethanamine?
2-[3-(3-chlorophenoxy)phenyl]ethanamine has a molecular weight of 247.73 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63943128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).