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

C16H17ClFNO — CID 82807477

IUPACN-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1cccc(OC)c1F
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(11-7-9-12(17)10-8-11)13-5-4-6-14(20-2)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyIKTOXVHCUKMZOT-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.19
Rot. Bonds5

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

N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 82807477) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID82807477
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1cccc(OC)c1F
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(11-7-9-12(17)10-8-11)13-5-4-6-14(20-2)15(13)18/h4-10,16,19H,3H2,1-2H3
InChIKeyIKTOXVHCUKMZOT-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-[(3-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791876
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105024887
N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81454945
N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82793264
N-[(2-fluoro-3-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 82791784
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937
N-[(3-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 81267028

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 82807477) is N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1cccc(OC)c1F.
What is the InChIKey of N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is IKTOXVHCUKMZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19-16(11-7-9-12(17)10-8-11)13-5-4-6-14(20-2)15(13)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
N-[(4-chlorophenyl)-(2-fluoro-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-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82807477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).