4-[3-(4-aminophenoxy)propyl]aniline

C15H18N2O — CID 146744980

IUPAC4-[3-(4-aminophenoxy)propyl]aniline
SMILESNc1ccc(CCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O/c16-13-5-3-12(4-6-13)2-1-11-18-15-9-7-14(17)8-10-15/h3-10H,1-2,11,16-17H2
InChIKeyRLVCHOVBHBALOO-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.86
Rot. Bonds5

About 4-[3-(4-aminophenoxy)propyl]aniline

4-[3-(4-aminophenoxy)propyl]aniline (PubChem CID 146744980) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)propyl]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)propyl]aniline
PubChem CID146744980
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-[3-(4-aminophenoxy)propyl]aniline
SMILESNc1ccc(CCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C15H18N2O/c16-13-5-3-12(4-6-13)2-1-11-18-15-9-7-14(17)8-10-15/h3-10H,1-2,11,16-17H2
InChIKeyRLVCHOVBHBALOO-UHFFFAOYSA-N
XLogP2.86
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline
CID 59646168
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
4-[3-(3-fluorophenoxy)propyl]aniline
CID 113384386
4-[3-(4-bromo-3,5-dimethylphenoxy)propyl]aniline
CID 107724479
4-(3-chloropropyl)aniline
CID 11805171
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[4-(3-phenylpropyl)phenoxy]aniline
CID 123730632

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)propyl]aniline?
The IUPAC name of 4-[3-(4-aminophenoxy)propyl]aniline (CID 146744980) is 4-[3-(4-aminophenoxy)propyl]aniline.
What is the SMILES notation for 4-[3-(4-aminophenoxy)propyl]aniline?
The canonical SMILES for 4-[3-(4-aminophenoxy)propyl]aniline is Nc1ccc(CCCOc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[3-(4-aminophenoxy)propyl]aniline?
The InChIKey is RLVCHOVBHBALOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-13-5-3-12(4-6-13)2-1-11-18-15-9-7-14(17)8-10-15/h3-10H,1-2,11,16-17H2.
What are the key properties of 4-[3-(4-aminophenoxy)propyl]aniline?
4-[3-(4-aminophenoxy)propyl]aniline has a molecular weight of 242.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenoxy)propyl]aniline is sourced from PubChem (CID 146744980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).