1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine

C18H22ClNO — CID 114862989

IUPAC1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Oc1ccccc1C(C)C
InChIInChI=1S/C18H22ClNO/c1-12(2)16-6-4-5-7-17(16)21-18-11-15(19)9-8-14(18)10-13(3)20/h4-9,11-13H,10,20H2,1-3H3
InChIKeyCXHLZQQGEFHPQM-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.15
Rot. Bonds5

About 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine

1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine (PubChem CID 114862989) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
PubChem CID114862989
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Oc1ccccc1C(C)C
InChIInChI=1S/C18H22ClNO/c1-12(2)16-6-4-5-7-17(16)21-18-11-15(19)9-8-14(18)10-13(3)20/h4-9,11-13H,10,20H2,1-3H3
InChIKeyCXHLZQQGEFHPQM-UHFFFAOYSA-N
XLogP5.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 114862777
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092
2-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20989901
1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 63460702
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[2-(4-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 63817173

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine (CID 114862989) is 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1Oc1ccccc1C(C)C.
What is the InChIKey of 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine?
The InChIKey is CXHLZQQGEFHPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(2)16-6-4-5-7-17(16)21-18-11-15(19)9-8-14(18)10-13(3)20/h4-9,11-13H,10,20H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine?
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114862989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).