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

C16H17ClFNO — CID 63081777

IUPACN-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1F)c1ccccc1OC
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(12-9-8-11(17)10-14(12)18)13-6-4-5-7-15(13)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyNLMQPKLWUZUQBI-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.19
Rot. Bonds5

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

N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 63081777) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID63081777
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1F)c1ccccc1OC
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(12-9-8-11(17)10-14(12)18)13-6-4-5-7-15(13)20-2/h4-10,16,19H,3H2,1-2H3
InChIKeyNLMQPKLWUZUQBI-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-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 115793050
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(4-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490184
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(2,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43561449

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 63081777) is N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1F)c1ccccc1OC.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is NLMQPKLWUZUQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19-16(12-9-8-11(17)10-14(12)18)13-6-4-5-7-15(13)20-2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(4-chloro-2-fluorophenyl)-(2-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-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63081777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).