N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine

C17H19ClFNO — CID 107879464

IUPACN-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(C)ccc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-3-20-10-14-8-12(2)4-7-17(14)21-11-13-5-6-15(18)16(19)9-13/h4-9,20H,3,10-11H2,1-2H3
InChIKeyWJDCAJRYAYRSOP-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.48
Rot. Bonds6

About N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine

N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine (PubChem CID 107879464) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
PubChem CID107879464
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(C)ccc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFNO/c1-3-20-10-14-8-12(2)4-7-17(14)21-11-13-5-6-15(18)16(19)9-13/h4-9,20H,3,10-11H2,1-2H3
InChIKeyWJDCAJRYAYRSOP-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-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methoxy]-4-methylbenzene
CID 103038481
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine (CID 107879464) is N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine is CCNCc1cc(C)ccc1OCc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine?
The InChIKey is WJDCAJRYAYRSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-3-20-10-14-8-12(2)4-7-17(14)21-11-13-5-6-15(18)16(19)9-13/h4-9,20H,3,10-11H2,1-2H3.
What are the key properties of N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine?
N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-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-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 107879464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).