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

C17H19ClFNO — CID 115952569

IUPACN-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-20-10-13-6-4-5-12(2)17(13)21-11-14-7-8-15(19)9-16(14)18/h4-9,20H,3,10-11H2,1-2H3
InChIKeyJBUCTGCSTAORRK-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.48
Rot. Bonds6

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

N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine (PubChem CID 115952569) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
PubChem CID115952569
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1ccc(F)cc1Cl
InChIInChI=1S/C17H19ClFNO/c1-3-20-10-13-6-4-5-12(2)17(13)21-11-14-7-8-15(19)9-16(14)18/h4-9,20H,3,10-11H2,1-2H3
InChIKeyJBUCTGCSTAORRK-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
N-[[3-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63501536
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17056749
4-[[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17056771
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine (CID 115952569) is N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCc1ccc(F)cc1Cl.
What is the InChIKey of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The InChIKey is JBUCTGCSTAORRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-20-10-13-6-4-5-12(2)17(13)21-11-14-7-8-15(19)9-16(14)18/h4-9,20H,3,10-11H2,1-2H3.
What are the key properties of N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 115952569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).