N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine

C18H20Cl2FNO — CID 29225270

IUPACN-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(F)cc1
InChIInChI=1S/C18H20Cl2FNO/c1-2-9-23-18-14(10-15(19)11-17(18)20)12-22-8-7-13-3-5-16(21)6-4-13/h3-6,10-11,22H,2,7-9,12H2,1H3
InChIKeyLHXMYCWBMBFOGC-UHFFFAOYSA-N
MW356.27 g/mol
LogP5.25
Rot. Bonds8

About N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine

N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine (PubChem CID 29225270) has the molecular formula C18H20Cl2FNO and a molecular weight of 356.27 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
PubChem CID29225270
Molecular FormulaC18H20Cl2FNO
Molecular Weight356.27 g/mol
Exact Mass355.09
IUPAC NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(F)cc1
InChIInChI=1S/C18H20Cl2FNO/c1-2-9-23-18-14(10-15(19)11-17(18)20)12-22-8-7-13-3-5-16(21)6-4-13/h3-6,10-11,22H,2,7-9,12H2,1H3
InChIKeyLHXMYCWBMBFOGC-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208622
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 29225362
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 17158093
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294143
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29225207
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718935

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine (CID 29225270) is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine is CCCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(F)cc1.
What is the InChIKey of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine?
The InChIKey is LHXMYCWBMBFOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2FNO/c1-2-9-23-18-14(10-15(19)11-17(18)20)12-22-8-7-13-3-5-16(21)6-4-13/h3-6,10-11,22H,2,7-9,12H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine?
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine has a molecular weight of 356.27 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 29225270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).