N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine

C16H25NO2 — CID 76946631

IUPACN-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNCCOC
InChIInChI=1S/C16H25NO2/c1-3-8-15-9-4-5-10-16(15)19-13-7-6-11-17-12-14-18-2/h3-5,8-10,17H,6-7,11-14H2,1-2H3
InChIKeySZTMOWXGFAGEON-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.11
Rot. Bonds10

About N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine

N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine (PubChem CID 76946631) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
PubChem CID76946631
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
SMILESCC=Cc1ccccc1OCCCCNCCOC
InChIInChI=1S/C16H25NO2/c1-3-8-15-9-4-5-10-16(15)19-13-7-6-11-17-12-14-18-2/h3-5,8-10,17H,6-7,11-14H2,1-2H3
InChIKeySZTMOWXGFAGEON-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine 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

N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
N-(2-methylpropyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943582
N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76997566
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
3-(2-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 55093398
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
3-(2,6-dimethoxyphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62571933

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine (CID 76946631) is N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine is CC=Cc1ccccc1OCCCCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
The InChIKey is SZTMOWXGFAGEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-8-15-9-4-5-10-16(15)19-13-7-6-11-17-12-14-18-2/h3-5,8-10,17H,6-7,11-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine?
N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine is sourced from PubChem (CID 76946631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).