N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine

C19H23ClFNO2 — CID 66530881

IUPACN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESCOc1cc(CNCCc2ccccc2F)c(Cl)cc1OC(C)C
InChIInChI=1S/C19H23ClFNO2/c1-13(2)24-19-11-16(20)15(10-18(19)23-3)12-22-9-8-14-6-4-5-7-17(14)21/h4-7,10-11,13,22H,8-9,12H2,1-3H3
InChIKeyLEPXRKPQSYTGGY-UHFFFAOYSA-N
MW351.85 g/mol
LogP4.61
Rot. Bonds8

About N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 66530881) has the molecular formula C19H23ClFNO2 and a molecular weight of 351.85 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID66530881
Molecular FormulaC19H23ClFNO2
Molecular Weight351.85 g/mol
Exact Mass351.14
IUPAC NameN-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESCOc1cc(CNCCc2ccccc2F)c(Cl)cc1OC(C)C
InChIInChI=1S/C19H23ClFNO2/c1-13(2)24-19-11-16(20)15(10-18(19)23-3)12-22-9-8-14-6-4-5-7-17(14)21/h4-7,10-11,13,22H,8-9,12H2,1-3H3
InChIKeyLEPXRKPQSYTGGY-UHFFFAOYSA-N
XLogP4.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine 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

N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530984
2-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylamino]ethanol
CID 66525624
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535631
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]pentan-1-amine
CID 66530852
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenylethanamine
CID 2200147
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66532191
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66531064
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529430
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine (CID 66530881) is N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine is COc1cc(CNCCc2ccccc2F)c(Cl)cc1OC(C)C.
What is the InChIKey of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is LEPXRKPQSYTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO2/c1-13(2)24-19-11-16(20)15(10-18(19)23-3)12-22-9-8-14-6-4-5-7-17(14)21/h4-7,10-11,13,22H,8-9,12H2,1-3H3.
What are the key properties of N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 351.85 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 66530881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).