2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine

C18H22ClNO — CID 63772583

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine
SMILESCc1cc(Cl)c(C(C)C)cc1OCC(N)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-12(2)15-10-18(13(3)9-16(15)19)21-11-17(20)14-7-5-4-6-8-14/h4-10,12,17H,11,20H2,1-3H3
InChIKeyMHZDRHPVIFHZQZ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.85
Rot. Bonds5

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine (PubChem CID 63772583) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine
PubChem CID63772583
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine
SMILESCc1cc(Cl)c(C(C)C)cc1OCC(N)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-12(2)15-10-18(13(3)9-16(15)19)21-11-17(20)14-7-5-4-6-8-14/h4-10,12,17H,11,20H2,1-3H3
InChIKeyMHZDRHPVIFHZQZ-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
CID 43100574
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylpropanenitrile
CID 43174896
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propanoic acid
CID 16772315
2-(2-butan-2-ylphenoxy)-1-phenylethanamine
CID 43099395
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine (CID 63772583) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine is Cc1cc(Cl)c(C(C)C)cc1OCC(N)c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine?
The InChIKey is MHZDRHPVIFHZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(2)15-10-18(13(3)9-16(15)19)21-11-17(20)14-7-5-4-6-8-14/h4-10,12,17H,11,20H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1-phenylethanamine is sourced from PubChem (CID 63772583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).