N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine

C15H13Cl3FN — CID 114452144

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESFc1cc(Cl)cc(CNCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl3FN/c16-12-2-1-11(15(18)8-12)3-4-20-9-10-5-13(17)7-14(19)6-10/h1-2,5-8,20H,3-4,9H2
InChIKeyVYWRXNSBQBEXQQ-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.12
Rot. Bonds5

About N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine

N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine (PubChem CID 114452144) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
PubChem CID114452144
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
SMILESFc1cc(Cl)cc(CNCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H13Cl3FN/c16-12-2-1-11(15(18)8-12)3-4-20-9-10-5-13(17)7-14(19)6-10/h1-2,5-8,20H,3-4,9H2
InChIKeyVYWRXNSBQBEXQQ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399352
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209705
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17209952
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
2-(2,6-dichloro-4-fluorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 118342869
3-[[2-(2,4-dichlorophenyl)ethylamino]methyl]benzoic acid
CID 103233798
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209764

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine (CID 114452144) is N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine is Fc1cc(Cl)cc(CNCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
The InChIKey is VYWRXNSBQBEXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c16-12-2-1-11(15(18)8-12)3-4-20-9-10-5-13(17)7-14(19)6-10/h1-2,5-8,20H,3-4,9H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine?
N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine has a molecular weight of 332.63 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 114452144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).