4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline

C17H21NO — CID 135065193

IUPAC4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline
SMILESCOc1c(C)cc(NC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO/c1-12-10-16(11-13(2)17(12)19-4)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3
InChIKeyDNGJNFJLEJKBGR-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.49
Rot. Bonds4

About 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline

4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline (PubChem CID 135065193) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline
PubChem CID135065193
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline
SMILESCOc1c(C)cc(NC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO/c1-12-10-16(11-13(2)17(12)19-4)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3
InChIKeyDNGJNFJLEJKBGR-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-methoxy-3,5-dimethylaniline
CID 102326159
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 112822925
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
4-chloro-3-methoxy-N-(1-phenylethyl)aniline
CID 107266476
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
4-methyl-3-nitro-N-(1-phenylethyl)aniline
CID 11572424
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline (CID 135065193) is 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline is COc1c(C)cc(NC(C)c2ccccc2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline?
The InChIKey is DNGJNFJLEJKBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-10-16(11-13(2)17(12)19-4)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline?
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline has a molecular weight of 255.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline is sourced from PubChem (CID 135065193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).