N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline

C19H25NO2 — CID 54799010

IUPACN-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCC(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-4-13-21-18-11-7-17(8-12-18)20-14-16(3)22-19-9-5-15(2)6-10-19/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyOTFWCMLZDZQCFI-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.66
Rot. Bonds8

About N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline

N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline (PubChem CID 54799010) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
PubChem CID54799010
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
SMILESCCCOc1ccc(NCC(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C19H25NO2/c1-4-13-21-18-11-7-17(8-12-18)20-14-16(3)22-19-9-5-15(2)6-10-19/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyOTFWCMLZDZQCFI-UHFFFAOYSA-N
XLogP4.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexoxy-N-[2-(4-methylphenoxy)propyl]aniline
CID 54798872
N-[2-(2-methylphenoxy)propyl]-4-propoxyaniline
CID 54799019
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
4-hexoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54798778
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
4-hexoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 54798879
3,4-dimethyl-N-[2-(4-methylphenoxy)propyl]aniline
CID 46736318
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline
CID 54796515
N-[2-(4-tert-butylphenoxy)propyl]-4-ethoxyaniline
CID 54796469
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline?
The IUPAC name of N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline (CID 54799010) is N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline.
What is the SMILES notation for N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline?
The canonical SMILES for N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline is CCCOc1ccc(NCC(C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline?
The InChIKey is OTFWCMLZDZQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-13-21-18-11-7-17(8-12-18)20-14-16(3)22-19-9-5-15(2)6-10-19/h5-12,16,20H,4,13-14H2,1-3H3.
What are the key properties of N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline?
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline has a molecular weight of 299.41 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline is sourced from PubChem (CID 54799010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).