1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine

C21H20ClNO2 — CID 143625777

IUPAC1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H20ClNO2/c1-15(23)14-16-2-6-18(7-3-16)24-20-10-12-21(13-11-20)25-19-8-4-17(22)5-9-19/h2-13,15H,14,23H2,1H3
InChIKeyUOMAMOGMEYMDMB-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.81
Rot. Bonds6

About 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine

1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine (PubChem CID 143625777) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
PubChem CID143625777
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C21H20ClNO2/c1-15(23)14-16-2-6-18(7-3-16)24-20-10-12-21(13-11-20)25-19-8-4-17(22)5-9-19/h2-13,15H,14,23H2,1H3
InChIKeyUOMAMOGMEYMDMB-UHFFFAOYSA-N
XLogP5.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
1-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 107726916
1-[4-(2,3-difluorophenoxy)phenyl]propan-2-amine
CID 63802336
1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
CID 22087476
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
(2R)-1-[4-(3-aminopropoxy)phenyl]propan-2-amine
CID 57215719
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine (CID 143625777) is 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(Oc2ccc(Oc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine?
The InChIKey is UOMAMOGMEYMDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-15(23)14-16-2-6-18(7-3-16)24-20-10-12-21(13-11-20)25-19-8-4-17(22)5-9-19/h2-13,15H,14,23H2,1H3.
What are the key properties of 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine?
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine has a molecular weight of 353.85 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine is sourced from PubChem (CID 143625777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).