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

C18H22ClNO — CID 114863207

IUPAC2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1ccc(C(C)C)cc1Oc1ccc(Cl)cc1CCN
InChIInChI=1S/C18H22ClNO/c1-12(2)14-5-4-13(3)18(11-14)21-17-7-6-16(19)10-15(17)8-9-20/h4-7,10-12H,8-9,20H2,1-3H3
InChIKeyMLXJUHNHPRKJFL-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.07
Rot. Bonds5

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

2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 114863207) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID114863207
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCc1ccc(C(C)C)cc1Oc1ccc(Cl)cc1CCN
InChIInChI=1S/C18H22ClNO/c1-12(2)14-5-4-13(3)18(11-14)21-17-7-6-16(19)10-15(17)8-9-20/h4-7,10-12H,8-9,20H2,1-3H3
InChIKeyMLXJUHNHPRKJFL-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-(chloromethyl)phenoxy]-1-methyl-4-propan-2-ylbenzene
CID 114847049
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzaldehyde
CID 114844853
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014
2-[5-chloro-2-(2-methylpropoxy)phenyl]ethanamine
CID 60905190
2-[3-chloro-4-(5-chloro-2-methylphenoxy)phenyl]ethanamine
CID 81160082
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350826
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110625

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine (CID 114863207) is 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine is Cc1ccc(C(C)C)cc1Oc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is MLXJUHNHPRKJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(2)14-5-4-13(3)18(11-14)21-17-7-6-16(19)10-15(17)8-9-20/h4-7,10-12H,8-9,20H2,1-3H3.
What are the key properties of 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine?
2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 114863207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).