4-(4-aminophenyl)-2-propylaniline

C15H18N2 — CID 67866626

IUPAC4-(4-aminophenyl)-2-propylaniline
SMILESCCCc1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C15H18N2/c1-2-3-13-10-12(6-9-15(13)17)11-4-7-14(16)8-5-11/h4-10H,2-3,16-17H2,1H3
InChIKeyPOYAEAJNAVETCG-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.47
Rot. Bonds3

About 4-(4-aminophenyl)-2-propylaniline

4-(4-aminophenyl)-2-propylaniline (PubChem CID 67866626) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2-propylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2-propylaniline
PubChem CID67866626
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(4-aminophenyl)-2-propylaniline
SMILESCCCc1cc(-c2ccc(N)cc2)ccc1N
InChIInChI=1S/C15H18N2/c1-2-3-13-10-12(6-9-15(13)17)11-4-7-14(16)8-5-11/h4-10H,2-3,16-17H2,1H3
InChIKeyPOYAEAJNAVETCG-UHFFFAOYSA-N
XLogP3.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-2-pentylaniline
CID 66665137
2-butyl-4-phenylaniline
CID 24835781
bis(4-(4-amino-3-ethylphenyl)-2-ethylaniline);hydrate
CID 174861024
4-chloro-2-propylaniline
CID 23348961
4-fluoro-2-propylaniline
CID 23348947
5-phenyl-2-propylaniline
CID 165495824
4-nitro-2-propylaniline
CID 21492038
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
4-(2-nitroso-5-prop-2-enylphenyl)-2-propylaniline
CID 88951276
2-ethyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 81288373
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2-propylaniline?
The IUPAC name of 4-(4-aminophenyl)-2-propylaniline (CID 67866626) is 4-(4-aminophenyl)-2-propylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2-propylaniline?
The canonical SMILES for 4-(4-aminophenyl)-2-propylaniline is CCCc1cc(-c2ccc(N)cc2)ccc1N.
What is the InChIKey of 4-(4-aminophenyl)-2-propylaniline?
The InChIKey is POYAEAJNAVETCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-3-13-10-12(6-9-15(13)17)11-4-7-14(16)8-5-11/h4-10H,2-3,16-17H2,1H3.
What are the key properties of 4-(4-aminophenyl)-2-propylaniline?
4-(4-aminophenyl)-2-propylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2-propylaniline is sourced from PubChem (CID 67866626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).