N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C16H16ClF2NO — CID 82873200

IUPACN-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)c1ccc(OC)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-3-20-16(10-4-7-14(18)13(17)8-10)12-6-5-11(21-2)9-15(12)19/h4-9,16,20H,3H2,1-2H3
InChIKeyZDZUQVCREQYXTB-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.33
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 82873200) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID82873200
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)c(Cl)c1)c1ccc(OC)cc1F
InChIInChI=1S/C16H16ClF2NO/c1-3-20-16(10-4-7-14(18)13(17)8-10)12-6-5-11(21-2)9-15(12)19/h4-9,16,20H,3H2,1-2H3
InChIKeyZDZUQVCREQYXTB-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302641
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022476
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 82873200) is N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(F)c(Cl)c1)c1ccc(OC)cc1F.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is ZDZUQVCREQYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-3-20-16(10-4-7-14(18)13(17)8-10)12-6-5-11(21-2)9-15(12)19/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82873200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).