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

C16H17ClFNO — CID 64712795

IUPACN-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(11-6-4-7-12(10-11)20-2)13-8-5-9-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyHNSUHHRMZWXHRG-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.19
Rot. Bonds5

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

N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 64712795) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID64712795
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(11-6-4-7-12(10-11)20-2)13-8-5-9-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyHNSUHHRMZWXHRG-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 64714865
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine (CID 64712795) is N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1cccc(Cl)c1F.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is HNSUHHRMZWXHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19-16(11-6-4-7-12(10-11)20-2)13-8-5-9-14(17)15(13)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 64712795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).