N-hexyl-2-(2-methoxyethoxy)-4-methylaniline

C16H27NO2 — CID 54865095

IUPACN-hexyl-2-(2-methoxyethoxy)-4-methylaniline
SMILESCCCCCCNc1ccc(C)cc1OCCOC
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-10-17-15-9-8-14(2)13-16(15)19-12-11-18-3/h8-9,13,17H,4-7,10-12H2,1-3H3
InChIKeyVGFPFRIYPPDSGH-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.01
Rot. Bonds10

About N-hexyl-2-(2-methoxyethoxy)-4-methylaniline

N-hexyl-2-(2-methoxyethoxy)-4-methylaniline (PubChem CID 54865095) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-hexyl-2-(2-methoxyethoxy)-4-methylaniline.

Molecular Properties

Compound NameN-hexyl-2-(2-methoxyethoxy)-4-methylaniline
PubChem CID54865095
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-hexyl-2-(2-methoxyethoxy)-4-methylaniline
SMILESCCCCCCNc1ccc(C)cc1OCCOC
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-10-17-15-9-8-14(2)13-16(15)19-12-11-18-3/h8-9,13,17H,4-7,10-12H2,1-3H3
InChIKeyVGFPFRIYPPDSGH-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hexyl-2-(2-methoxyethoxy)-4-methylaniline 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

2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
2-(2-methoxyethoxy)-4-methyl-N-prop-2-ynylaniline
CID 63951891
1,4-dimethyl-2-pentoxybenzene
CID 59184214
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
2-chloro-N-decyl-4-methylaniline
CID 63489010
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
2-ethoxy-N-(3-methoxypropyl)-5-methylaniline
CID 83961689
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]hexadecan-1-amine
CID 54855433
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-[2-(2,5-dimethylphenoxy)ethyl]-2,4-dimethylaniline
CID 54796581

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(2-methoxyethoxy)-4-methylaniline?
The IUPAC name of N-hexyl-2-(2-methoxyethoxy)-4-methylaniline (CID 54865095) is N-hexyl-2-(2-methoxyethoxy)-4-methylaniline.
What is the SMILES notation for N-hexyl-2-(2-methoxyethoxy)-4-methylaniline?
The canonical SMILES for N-hexyl-2-(2-methoxyethoxy)-4-methylaniline is CCCCCCNc1ccc(C)cc1OCCOC.
What is the InChIKey of N-hexyl-2-(2-methoxyethoxy)-4-methylaniline?
The InChIKey is VGFPFRIYPPDSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-7-10-17-15-9-8-14(2)13-16(15)19-12-11-18-3/h8-9,13,17H,4-7,10-12H2,1-3H3.
What are the key properties of N-hexyl-2-(2-methoxyethoxy)-4-methylaniline?
N-hexyl-2-(2-methoxyethoxy)-4-methylaniline has a molecular weight of 265.40 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(2-methoxyethoxy)-4-methylaniline is sourced from PubChem (CID 54865095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).