1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine

C18H22ClNO — CID 43352001

IUPAC1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)N)cc1
InChIInChI=1S/C18H22ClNO/c1-11(2)16-10-18(12(3)9-17(16)19)21-15-7-5-14(6-8-15)13(4)20/h5-11,13H,20H2,1-4H3
InChIKeyRXELLULPVDRUDY-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.58
Rot. Bonds4

About 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine

1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 43352001) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID43352001
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)N)cc1
InChIInChI=1S/C18H22ClNO/c1-11(2)16-10-18(12(3)9-17(16)19)21-15-7-5-14(6-8-15)13(4)20/h5-11,13H,20H2,1-4H3
InChIKeyRXELLULPVDRUDY-UHFFFAOYSA-N
XLogP5.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
CID 43506602
(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 63369920
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
CID 83110707
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine (CID 43352001) is 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine is Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is RXELLULPVDRUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-11(2)16-10-18(12(3)9-17(16)19)21-15-7-5-14(6-8-15)13(4)20/h5-11,13H,20H2,1-4H3.
What are the key properties of 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43352001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).