4-[3-(4-propylphenoxy)propoxy]aniline

C18H23NO2 — CID 62548380

IUPAC4-[3-(4-propylphenoxy)propoxy]aniline
SMILESCCCc1ccc(OCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-2-4-15-5-9-17(10-6-15)20-13-3-14-21-18-11-7-16(19)8-12-18/h5-12H,2-4,13-14,19H2,1H3
InChIKeyNJRFEACJOXTNTD-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.07
Rot. Bonds8

About 4-[3-(4-propylphenoxy)propoxy]aniline

4-[3-(4-propylphenoxy)propoxy]aniline (PubChem CID 62548380) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(4-propylphenoxy)propoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-propylphenoxy)propoxy]aniline
PubChem CID62548380
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[3-(4-propylphenoxy)propoxy]aniline
SMILESCCCc1ccc(OCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-2-4-15-5-9-17(10-6-15)20-13-3-14-21-18-11-7-16(19)8-12-18/h5-12H,2-4,13-14,19H2,1H3
InChIKeyNJRFEACJOXTNTD-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-aminophenoxy)propyl]aniline
CID 146744980
3-[3-(4-propylphenoxy)propoxy]aniline
CID 62548550
1-nonoxy-4-propylbenzene
CID 118632119
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
4-(3-ethoxypropoxy)aniline
CID 43365878
1-(3-azidopropoxy)-4-propylbenzene
CID 62550685
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
4-[(4-butoxyphenyl)diazenyl]aniline
CID 3684446
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propylphenoxy)propoxy]aniline?
The IUPAC name of 4-[3-(4-propylphenoxy)propoxy]aniline (CID 62548380) is 4-[3-(4-propylphenoxy)propoxy]aniline.
What is the SMILES notation for 4-[3-(4-propylphenoxy)propoxy]aniline?
The canonical SMILES for 4-[3-(4-propylphenoxy)propoxy]aniline is CCCc1ccc(OCCCOc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[3-(4-propylphenoxy)propoxy]aniline?
The InChIKey is NJRFEACJOXTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-4-15-5-9-17(10-6-15)20-13-3-14-21-18-11-7-16(19)8-12-18/h5-12H,2-4,13-14,19H2,1H3.
What are the key properties of 4-[3-(4-propylphenoxy)propoxy]aniline?
4-[3-(4-propylphenoxy)propoxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propylphenoxy)propoxy]aniline is sourced from PubChem (CID 62548380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).