N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine

C16H17ClFNO — CID 61034237

IUPACN-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C16H17ClFNO/c1-3-19-10-12-5-4-11(8-15(12)18)14-9-13(17)6-7-16(14)20-2/h4-9,19H,3,10H2,1-2H3
InChIKeyBECDOJAXYBJORT-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.26
Rot. Bonds5

About N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine

N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 61034237) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
PubChem CID61034237
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(Cl)ccc2OC)cc1F
InChIInChI=1S/C16H17ClFNO/c1-3-19-10-12-5-4-11(8-15(12)18)14-9-13(17)6-7-16(14)20-2/h4-9,19H,3,10H2,1-2H3
InChIKeyBECDOJAXYBJORT-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
3-[3-(ethylaminomethyl)-4-fluorophenyl]-4-methoxybenzonitrile
CID 106951097
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
CID 115482556
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[4-(3-chloro-4-methoxyphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441468
5-(5-chloro-2-methoxyphenyl)-2-fluorobenzoic acid
CID 53211125
1,4-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 119008746

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine (CID 61034237) is N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine is CCNCc1ccc(-c2cc(Cl)ccc2OC)cc1F.
What is the InChIKey of N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is BECDOJAXYBJORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19-10-12-5-4-11(8-15(12)18)14-9-13(17)6-7-16(14)20-2/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine?
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 61034237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).