4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline

C19H25NO — CID 139610213

IUPAC4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline
SMILESCCC(ONc1ccc(CC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-19(17-8-6-5-7-9-17)21-20-18-12-10-16(11-13-18)14-15(2)3/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyLZXCGXRZYKQEBY-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.38
Rot. Bonds7

About 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline

4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline (PubChem CID 139610213) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline
PubChem CID139610213
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline
SMILESCCC(ONc1ccc(CC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-19(17-8-6-5-7-9-17)21-20-18-12-10-16(11-13-18)14-15(2)3/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyLZXCGXRZYKQEBY-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
1-[bromo(phenyl)methyl]-4-(2-methylpropyl)benzene
CID 19010746
ethane;2-methylpropylbenzene
CID 162200929
methane;2-methylpropylbenzene;pentane
CID 162015938
1-[4-(2-methylpropyl)phenyl]-N-phenylmethoxyethanamine
CID 82712557
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
1-(1-phenylpropoxy)ethanethiol
CID 126486623
1,4-bis(2-phenylpropyl)benzene
CID 19376086
3-methyl-1-phenyl-N-[(1R)-1-phenylbutoxy]butan-2-amine
CID 101004920
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline?
The IUPAC name of 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline (CID 139610213) is 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline.
What is the SMILES notation for 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline?
The canonical SMILES for 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline is CCC(ONc1ccc(CC(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline?
The InChIKey is LZXCGXRZYKQEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-19(17-8-6-5-7-9-17)21-20-18-12-10-16(11-13-18)14-15(2)3/h5-13,15,19-20H,4,14H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline?
4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline has a molecular weight of 283.42 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(1-phenylpropoxy)aniline is sourced from PubChem (CID 139610213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).