4-(3,4-dipropoxyphenyl)aniline

C18H23NO2 — CID 61026286

IUPAC4-(3,4-dipropoxyphenyl)aniline
SMILESCCCOc1ccc(-c2ccc(N)cc2)cc1OCCC
InChIInChI=1S/C18H23NO2/c1-3-11-20-17-10-7-15(13-18(17)21-12-4-2)14-5-8-16(19)9-6-14/h5-10,13H,3-4,11-12,19H2,1-2H3
InChIKeyODJDLXJIQNNOPU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.51
Rot. Bonds7

About 4-(3,4-dipropoxyphenyl)aniline

4-(3,4-dipropoxyphenyl)aniline (PubChem CID 61026286) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(3,4-dipropoxyphenyl)aniline.

Molecular Properties

Compound Name4-(3,4-dipropoxyphenyl)aniline
PubChem CID61026286
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-(3,4-dipropoxyphenyl)aniline
SMILESCCCOc1ccc(-c2ccc(N)cc2)cc1OCCC
InChIInChI=1S/C18H23NO2/c1-3-11-20-17-10-7-15(13-18(17)21-12-4-2)14-5-8-16(19)9-6-14/h5-10,13H,3-4,11-12,19H2,1-2H3
InChIKeyODJDLXJIQNNOPU-UHFFFAOYSA-N
XLogP4.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dipentoxyphenyl)-1,2-dipentoxybenzene
CID 11409401
4-propoxybenzene-1,3-diamine
CID 69462115
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
N-[(4-aminophenyl)methyl]-3,4-dipropoxyaniline
CID 83961553
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
4-(4-aminophenyl)-2-fluoro-5-propoxyaniline
CID 175129917
3,4-dipropoxybenzenethiol
CID 28939740
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
CID 143655981
2-butoxy-1-methyl-4-(4-methyl-3-propoxyphenyl)benzene
CID 165016144
2,3-bis(3,4-dioctoxyphenyl)quinoxaline-6,7-diamine
CID 102597963
2-butoxy-5-phenylaniline
CID 54853554

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dipropoxyphenyl)aniline?
The IUPAC name of 4-(3,4-dipropoxyphenyl)aniline (CID 61026286) is 4-(3,4-dipropoxyphenyl)aniline.
What is the SMILES notation for 4-(3,4-dipropoxyphenyl)aniline?
The canonical SMILES for 4-(3,4-dipropoxyphenyl)aniline is CCCOc1ccc(-c2ccc(N)cc2)cc1OCCC.
What is the InChIKey of 4-(3,4-dipropoxyphenyl)aniline?
The InChIKey is ODJDLXJIQNNOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-11-20-17-10-7-15(13-18(17)21-12-4-2)14-5-8-16(19)9-6-14/h5-10,13H,3-4,11-12,19H2,1-2H3.
What are the key properties of 4-(3,4-dipropoxyphenyl)aniline?
4-(3,4-dipropoxyphenyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dipropoxyphenyl)aniline is sourced from PubChem (CID 61026286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).