3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline

C17H19NO — CID 10377586

IUPAC3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline
SMILESCOc1ccc(-c2cccc(N)c2C=C(C)C)cc1
InChIInChI=1S/C17H19NO/c1-12(2)11-16-15(5-4-6-17(16)18)13-7-9-14(19-3)10-8-13/h4-11H,18H2,1-3H3
InChIKeyKECQVZDNGYKYTI-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.37
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline

3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline (PubChem CID 10377586) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline
PubChem CID10377586
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline
SMILESCOc1ccc(-c2cccc(N)c2C=C(C)C)cc1
InChIInChI=1S/C17H19NO/c1-12(2)11-16-15(5-4-6-17(16)18)13-7-9-14(19-3)10-8-13/h4-11H,18H2,1-3H3
InChIKeyKECQVZDNGYKYTI-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
CID 175811193
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol
CID 161150699
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline (CID 10377586) is 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline is COc1ccc(-c2cccc(N)c2C=C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline?
The InChIKey is KECQVZDNGYKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(2)11-16-15(5-4-6-17(16)18)13-7-9-14(19-3)10-8-13/h4-11H,18H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline?
3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline has a molecular weight of 253.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(2-methylprop-1-enyl)aniline is sourced from PubChem (CID 10377586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).