N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline

C15H25NO3 — CID 103178499

IUPACN-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
SMILESCOCCCOCCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-13(2)19-15-7-5-14(6-8-15)16-9-12-18-11-4-10-17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeySAGYWFNHQYCBTQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.94
Rot. Bonds10

About N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline

N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline (PubChem CID 103178499) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
PubChem CID103178499
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline
SMILESCOCCCOCCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-13(2)19-15-7-5-14(6-8-15)16-9-12-18-11-4-10-17-3/h5-8,13,16H,4,9-12H2,1-3H3
InChIKeySAGYWFNHQYCBTQ-UHFFFAOYSA-N
XLogP2.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline 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-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine
CID 103178991
3,4-difluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178421
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
1-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]-3-(4-propan-2-yloxyphenyl)guanidine
CID 111872125
2-(3-methoxypropylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829052
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111089855
N-(4-methylsulfanylbutyl)-4-propan-2-yloxyaniline
CID 103087329
3-bromo-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 62566662

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline (CID 103178499) is N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline is COCCCOCCNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline?
The InChIKey is SAGYWFNHQYCBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2)19-15-7-5-14(6-8-15)16-9-12-18-11-4-10-17-3/h5-8,13,16H,4,9-12H2,1-3H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline?
N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline has a molecular weight of 267.37 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 103178499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).