3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline

C21H19Cl2NO — CID 126118289

IUPAC3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2NO/c1-15-20(23)6-3-7-21(15)24-13-16-8-10-19(11-9-16)25-14-17-4-2-5-18(22)12-17/h2-12,24H,13-14H2,1H3
InChIKeyBBHJEBBWUPSSDU-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.49
Rot. Bonds6

About 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline

3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (PubChem CID 126118289) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
PubChem CID126118289
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC Name3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
SMILESCc1c(Cl)cccc1NCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19Cl2NO/c1-15-20(23)6-3-7-21(15)24-13-16-8-10-19(11-9-16)25-14-17-4-2-5-18(22)12-17/h2-12,24H,13-14H2,1H3
InChIKeyBBHJEBBWUPSSDU-UHFFFAOYSA-N
XLogP6.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.30
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126127986
3-chloro-2-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126121846
3-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126128041
N-[(3-butoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 39432297
2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126184186
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
3-chloro-N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123855
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
N'-[5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-methylphenyl]methanimidamide
CID 162521310

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline (CID 126118289) is 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is Cc1c(Cl)cccc1NCc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
The InChIKey is BBHJEBBWUPSSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15-20(23)6-3-7-21(15)24-13-16-8-10-19(11-9-16)25-14-17-4-2-5-18(22)12-17/h2-12,24H,13-14H2,1H3.
What are the key properties of 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline?
3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline has a molecular weight of 372.30 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 126118289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).