N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline

C16H17Cl2NO2 — CID 60789912

IUPACN-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C16H17Cl2NO2/c1-10-4-15(20-2)16(21-3)8-14(10)19-9-11-5-12(17)7-13(18)6-11/h4-8,19H,9H2,1-3H3
InChIKeyTZNBOBJBLZLGRE-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.93
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline

N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline (PubChem CID 60789912) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
PubChem CID60789912
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C16H17Cl2NO2/c1-10-4-15(20-2)16(21-3)8-14(10)19-9-11-5-12(17)7-13(18)6-11/h4-8,19H,9H2,1-3H3
InChIKeyTZNBOBJBLZLGRE-UHFFFAOYSA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
N-[(3-bromophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230231
N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60780447
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
N-[(3,5-dichlorophenyl)methyl]-2-methoxy-4-nitroaniline
CID 60789805
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005
N-[(3-aminophenyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115211768
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 29040909
2-N-[(4-chlorophenyl)methyl]-4,5-dimethoxybenzene-1,2-diamine
CID 83001192
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
5-chloro-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylaniline
CID 126121919

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline (CID 60789912) is N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline is COc1cc(C)c(NCc2cc(Cl)cc(Cl)c2)cc1OC.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
The InChIKey is TZNBOBJBLZLGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-10-4-15(20-2)16(21-3)8-14(10)19-9-11-5-12(17)7-13(18)6-11/h4-8,19H,9H2,1-3H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline?
N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline has a molecular weight of 326.22 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 60789912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).