4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline

C19H25NO — CID 79008767

IUPAC4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCOc1ccc(NC(CC)Cc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-4-17(14-16-9-7-6-8-10-16)20-19-12-11-18(21-5-2)13-15(19)3/h6-13,17,20H,4-5,14H2,1-3H3
InChIKeyVUQZYSQWJAWXAI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.83
Rot. Bonds7

About 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline

4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline (PubChem CID 79008767) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline
PubChem CID79008767
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline
SMILESCCOc1ccc(NC(CC)Cc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-4-17(14-16-9-7-6-8-10-16)20-19-12-11-18(21-5-2)13-15(19)3/h6-13,17,20H,4-5,14H2,1-3H3
InChIKeyVUQZYSQWJAWXAI-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.83
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-(2,6-dimethylheptan-4-yl)-4-ethoxy-2-methylaniline
CID 63450960
2,4-dimethoxy-N-(1-phenylbutan-2-yl)aniline
CID 79008614
4-ethoxy-N-[1-(3-fluorophenyl)propan-2-yl]-2-methylaniline
CID 114829365
2,5-dichloro-4-methyl-N-(1-phenylbutan-2-yl)aniline
CID 104726531
4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 60936269
N-(1-phenylbutan-2-yl)-3-propoxyaniline
CID 79008834
4-ethoxy-N-(1-ethylsulfonylpropan-2-yl)-2-methylaniline
CID 115916635
N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
CID 86827079
2-chloro-4-iodo-N-(1-phenylbutan-2-yl)aniline
CID 79007429
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline (CID 79008767) is 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline is CCOc1ccc(NC(CC)Cc2ccccc2)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline?
The InChIKey is VUQZYSQWJAWXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-17(14-16-9-7-6-8-10-16)20-19-12-11-18(21-5-2)13-15(19)3/h6-13,17,20H,4-5,14H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline?
4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline has a molecular weight of 283.42 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-N-(1-phenylbutan-2-yl)aniline is sourced from PubChem (CID 79008767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).