N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine

C17H19ClFNO3 — CID 52672299

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2c(F)cccc2Cl)c(OC)c1OC
InChIInChI=1S/C17H19ClFNO3/c1-21-15-8-7-11(16(22-2)17(15)23-3)9-20-10-12-13(18)5-4-6-14(12)19/h4-8,20H,9-10H2,1-3H3
InChIKeyZPPQJGOJZMYAPH-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.79
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 52672299) has the molecular formula C17H19ClFNO3 and a molecular weight of 339.79 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID52672299
Molecular FormulaC17H19ClFNO3
Molecular Weight339.79 g/mol
Exact Mass339.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2c(F)cccc2Cl)c(OC)c1OC
InChIInChI=1S/C17H19ClFNO3/c1-21-15-8-7-11(16(22-2)17(15)23-3)9-20-10-12-13(18)5-4-6-14(12)19/h4-8,20H,9-10H2,1-3H3
InChIKeyZPPQJGOJZMYAPH-UHFFFAOYSA-N
XLogP3.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine 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-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-[(2,4-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 60957867
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
(1S)-2-[[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 51988676
N-[(2-chloro-6-fluorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656308
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66536988
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 53271539
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 66536502

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine (CID 52672299) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine is COc1ccc(CNCc2c(F)cccc2Cl)c(OC)c1OC.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is ZPPQJGOJZMYAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO3/c1-21-15-8-7-11(16(22-2)17(15)23-3)9-20-10-12-13(18)5-4-6-14(12)19/h4-8,20H,9-10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 339.79 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 52672299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).