N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline

C21H19Cl2NO — CID 126128677

IUPACN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C21H19Cl2NO/c1-15-7-5-6-10-20(15)24-13-17-11-18(22)21(19(23)12-17)25-14-16-8-3-2-4-9-16/h2-12,24H,13-14H2,1H3
InChIKeyYQIAZHUPOGPNNI-UHFFFAOYSA-N
MW372.30 g/mol
LogP6.49
Rot. Bonds6

About N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline (PubChem CID 126128677) has the molecular formula C21H19Cl2NO and a molecular weight of 372.30 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
PubChem CID126128677
Molecular FormulaC21H19Cl2NO
Molecular Weight372.30 g/mol
Exact Mass371.08
IUPAC NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
SMILESCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C21H19Cl2NO/c1-15-7-5-6-10-20(15)24-13-17-11-18(22)21(19(23)12-17)25-14-16-8-3-2-4-9-16/h2-12,24H,13-14H2,1H3
InChIKeyYQIAZHUPOGPNNI-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

N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123609
N-[[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125539
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methyl]-2-methylaniline
CID 126121219
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126123491
N-[[3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126122048
2-chloro-N-[[3,5-dichloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126184186
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126115738
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
N-[(3-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-methylaniline
CID 126120424
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline (CID 126128677) is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline is Cc1ccccc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline?
The InChIKey is YQIAZHUPOGPNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2NO/c1-15-7-5-6-10-20(15)24-13-17-11-18(22)21(19(23)12-17)25-14-16-8-3-2-4-9-16/h2-12,24H,13-14H2,1H3.
What are the key properties of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline?
N-[(3,5-dichloro-4-phenylmethoxyphenyl)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 N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 126128677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).