N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline

C16H18ClNO2 — CID 65021575

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2ccc(OC)c(Cl)c2)cc1C
InChIInChI=1S/C16H18ClNO2/c1-11-8-13(5-7-15(11)19-2)18-10-12-4-6-16(20-3)14(17)9-12/h4-9,18H,10H2,1-3H3
InChIKeyMYQKUJQYOKWXIE-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.28
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline

N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline (PubChem CID 65021575) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
PubChem CID65021575
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2ccc(OC)c(Cl)c2)cc1C
InChIInChI=1S/C16H18ClNO2/c1-11-8-13(5-7-15(11)19-2)18-10-12-4-6-16(20-3)14(17)9-12/h4-9,18H,10H2,1-3H3
InChIKeyMYQKUJQYOKWXIE-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.28
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

4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 65022380
N-[(3-chloro-4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 65022462
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 65021363
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128389
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-nitroaniline
CID 82865308
4-methoxy-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 61059029
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline (CID 65021575) is N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline is COc1ccc(NCc2ccc(OC)c(Cl)c2)cc1C.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
The InChIKey is MYQKUJQYOKWXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-8-13(5-7-15(11)19-2)18-10-12-4-6-16(20-3)14(17)9-12/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline?
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline has a molecular weight of 291.78 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline is sourced from PubChem (CID 65021575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).