4-(2-butylphenyl)-2,5-dimethylaniline

C18H23N — CID 69135877

IUPAC4-(2-butylphenyl)-2,5-dimethylaniline
SMILESCCCCc1ccccc1-c1cc(C)c(N)cc1C
InChIInChI=1S/C18H23N/c1-4-5-8-15-9-6-7-10-16(15)17-11-14(3)18(19)12-13(17)2/h6-7,9-12H,4-5,8,19H2,1-3H3
InChIKeyHVMCJFAVOPBRSX-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.90
Rot. Bonds4

About 4-(2-butylphenyl)-2,5-dimethylaniline

4-(2-butylphenyl)-2,5-dimethylaniline (PubChem CID 69135877) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(2-butylphenyl)-2,5-dimethylaniline.

Molecular Properties

Compound Name4-(2-butylphenyl)-2,5-dimethylaniline
PubChem CID69135877
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-(2-butylphenyl)-2,5-dimethylaniline
SMILESCCCCc1ccccc1-c1cc(C)c(N)cc1C
InChIInChI=1S/C18H23N/c1-4-5-8-15-9-6-7-10-16(15)17-11-14(3)18(19)12-13(17)2/h6-7,9-12H,4-5,8,19H2,1-3H3
InChIKeyHVMCJFAVOPBRSX-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-butyl-2-methylaniline
CID 130538000
4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
CID 70283207
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
1-methyl-2-pentylbenzene
CID 524553
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline
CID 145354364
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
2-butyl-6-methylphenol;2-methylaniline
CID 70417016
CID 159940559
CID 159940559
tetrakis(hexane);tris(1,2-xylene)
CID 173431292

Frequently Asked Questions

What is the IUPAC name of 4-(2-butylphenyl)-2,5-dimethylaniline?
The IUPAC name of 4-(2-butylphenyl)-2,5-dimethylaniline (CID 69135877) is 4-(2-butylphenyl)-2,5-dimethylaniline.
What is the SMILES notation for 4-(2-butylphenyl)-2,5-dimethylaniline?
The canonical SMILES for 4-(2-butylphenyl)-2,5-dimethylaniline is CCCCc1ccccc1-c1cc(C)c(N)cc1C.
What is the InChIKey of 4-(2-butylphenyl)-2,5-dimethylaniline?
The InChIKey is HVMCJFAVOPBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-5-8-15-9-6-7-10-16(15)17-11-14(3)18(19)12-13(17)2/h6-7,9-12H,4-5,8,19H2,1-3H3.
What are the key properties of 4-(2-butylphenyl)-2,5-dimethylaniline?
4-(2-butylphenyl)-2,5-dimethylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butylphenyl)-2,5-dimethylaniline is sourced from PubChem (CID 69135877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).