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

C16H16Cl2FNO — CID 103037797

IUPACN-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-12-8-13(17)4-6-16(12)21-10-11-3-5-15(19)14(18)7-11/h3-8,20H,2,9-10H2,1H3
InChIKeyGBSWZAOTFGPYAO-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.82
Rot. Bonds6

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

N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 103037797) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID103037797
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-20-9-12-8-13(17)4-6-16(12)21-10-11-3-5-15(19)14(18)7-11/h3-8,20H,2,9-10H2,1H3
InChIKeyGBSWZAOTFGPYAO-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]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-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 107879464
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
3-[[4-chloro-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882575
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720979

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine (CID 103037797) is N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is GBSWZAOTFGPYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-2-20-9-12-8-13(17)4-6-16(12)21-10-11-3-5-15(19)14(18)7-11/h3-8,20H,2,9-10H2,1H3.
What are the key properties of N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 328.21 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 103037797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).