N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine

C16H16Cl2FNO — CID 81288457

IUPACN-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(OC)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-3-20-16(12-6-5-11(17)9-13(12)18)10-4-7-14(19)15(8-10)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyRAQSFNUCNOXDRM-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.84
Rot. Bonds5

About N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine

N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 81288457) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID81288457
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(OC)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-3-20-16(12-6-5-11(17)9-13(12)18)10-4-7-14(19)15(8-10)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyRAQSFNUCNOXDRM-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
5-chloro-3-[ethylamino-(4-fluoro-3-methoxyphenyl)methyl]pyridin-2-amine
CID 107922698
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283886
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 81288457) is N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(OC)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is RAQSFNUCNOXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-3-20-16(12-6-5-11(17)9-13(12)18)10-4-7-14(19)15(8-10)21-2/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine?
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 328.21 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81288457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).