N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine

C16H16Cl2FNO — CID 65433237

IUPACN-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1c(F)cccc1OC
InChIInChI=1S/C16H16Cl2FNO/c1-3-20-16(10-7-8-11(17)12(18)9-10)15-13(19)5-4-6-14(15)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyAPIBCJUAWOZDIZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.84
Rot. Bonds5

About N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine (PubChem CID 65433237) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
PubChem CID65433237
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1c(F)cccc1OC
InChIInChI=1S/C16H16Cl2FNO/c1-3-20-16(10-7-8-11(17)12(18)9-10)15-13(19)5-4-6-14(15)21-2/h4-9,16,20H,3H2,1-2H3
InChIKeyAPIBCJUAWOZDIZ-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-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-[(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79722384
N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81454945
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 114658521
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(3-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 82872461
N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81499377
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
[(3,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105257162
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine (CID 65433237) is N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)c1c(F)cccc1OC.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
The InChIKey is APIBCJUAWOZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-3-20-16(10-7-8-11(17)12(18)9-10)15-13(19)5-4-6-14(15)21-2/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(2-fluoro-6-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-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 65433237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).