N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline

C22H21ClFNO — CID 126127818

IUPACN-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1C
InChIInChI=1S/C22H21ClFNO/c1-15-5-3-8-21(16(15)2)25-13-18-12-19(23)9-10-22(18)26-14-17-6-4-7-20(24)11-17/h3-12,25H,13-14H2,1-2H3
InChIKeyXMYXKZUJUARERK-UHFFFAOYSA-N
MW369.87 g/mol
LogP6.29
Rot. Bonds6

About N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline

N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline (PubChem CID 126127818) has the molecular formula C22H21ClFNO and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
PubChem CID126127818
Molecular FormulaC22H21ClFNO
Molecular Weight369.87 g/mol
Exact Mass369.13
IUPAC NameN-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1C
InChIInChI=1S/C22H21ClFNO/c1-15-5-3-8-21(16(15)2)25-13-18-12-19(23)9-10-22(18)26-14-17-6-4-7-20(24)11-17/h3-12,25H,13-14H2,1-2H3
InChIKeyXMYXKZUJUARERK-UHFFFAOYSA-N
XLogP6.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126116313
N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125531
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
N-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126125349
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
N-[[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-chloro-4-methylaniline
CID 126119144
3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866415
N-[[5-chloro-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125870
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126123799
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126125272

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline (CID 126127818) is N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline is Cc1cccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)c1C.
What is the InChIKey of N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
The InChIKey is XMYXKZUJUARERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO/c1-15-5-3-8-21(16(15)2)25-13-18-12-19(23)9-10-22(18)26-14-17-6-4-7-20(24)11-17/h3-12,25H,13-14H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline?
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline has a molecular weight of 369.87 g/mol, XLogP of 6.29, 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-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline is sourced from PubChem (CID 126127818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).