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

C15H16ClNO — CID 63803972

IUPAC1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO/c1-11(17)9-12-5-7-14(8-6-12)18-15-4-2-3-13(16)10-15/h2-8,10-11H,9,17H2,1H3
InChIKeyHTSMJHGGTWZJEQ-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.02
Rot. Bonds4

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

1-[4-(3-chlorophenoxy)phenyl]propan-2-amine (PubChem CID 63803972) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
PubChem CID63803972
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO/c1-11(17)9-12-5-7-14(8-6-12)18-15-4-2-3-13(16)10-15/h2-8,10-11H,9,17H2,1H3
InChIKeyHTSMJHGGTWZJEQ-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
1-[4-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63802154
1,3-dichloro-5-[4-(2-methylpropyl)phenoxy]benzene
CID 22087476
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-(4-chlorophenyl)propan-2-amine
CID 3127
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 107726916
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine (CID 63803972) is 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine?
The InChIKey is HTSMJHGGTWZJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(17)9-12-5-7-14(8-6-12)18-15-4-2-3-13(16)10-15/h2-8,10-11H,9,17H2,1H3.
What are the key properties of 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine?
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine has a molecular weight of 261.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63803972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).