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

C16H16Cl2FNO — CID 81454945

IUPACN-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)c1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-3-20-16(11-5-4-6-13(19)15(11)18)10-7-8-14(21-2)12(17)9-10/h4-9,16,20H,3H2,1-2H3
InChIKeyQSBDAYVIVCLVGW-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.84
Rot. Bonds5

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

N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 81454945) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
PubChem CID81454945
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(Cl)c1)c1cccc(F)c1Cl
InChIInChI=1S/C16H16Cl2FNO/c1-3-20-16(11-5-4-6-13(19)15(11)18)10-7-8-14(21-2)12(17)9-10/h4-9,16,20H,3H2,1-2H3
InChIKeyQSBDAYVIVCLVGW-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-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81499377
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-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
N-[(3,4-dichlorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 65433237
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine (CID 81454945) is N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(Cl)c1)c1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is QSBDAYVIVCLVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-3-20-16(11-5-4-6-13(19)15(11)18)10-7-8-14(21-2)12(17)9-10/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine?
N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-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-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81454945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).