N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline

C17H21NO — CID 138518716

IUPACN-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
SMILESCCN(Cc1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO/c1-4-18(13-15-7-5-14(2)6-8-15)16-9-11-17(19-3)12-10-16/h5-12H,4,13H2,1-3H3
InChIKeyQCKPMMLTTFKOSW-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.03
Rot. Bonds5

About N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline

N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline (PubChem CID 138518716) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
PubChem CID138518716
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
SMILESCCN(Cc1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO/c1-4-18(13-15-7-5-14(2)6-8-15)16-9-11-17(19-3)12-10-16/h5-12H,4,13H2,1-3H3
InChIKeyQCKPMMLTTFKOSW-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
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

CID 162461
CID 162461
CID 519413
CID 519413
CID 3849761
CID 3849761
CID 1809552
CID 1809552
CID 3826471
CID 3826471
CID 118796493
CID 118796493
CID 408377
CID 408377
CID 869055
CID 869055
CID 44276571
CID 44276571
CID 44334052
CID 44334052
CID 892164
CID 892164
CID 937377
CID 937377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline (CID 138518716) is N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline is CCN(Cc1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is QCKPMMLTTFKOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-18(13-15-7-5-14(2)6-8-15)16-9-11-17(19-3)12-10-16/h5-12H,4,13H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline?
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 255.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 138518716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).