N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine

C15H24N2O — CID 2297543

IUPACN'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine
SMILESC=CCc1cc(C)ccc1OCCCNCCN
InChIInChI=1S/C15H24N2O/c1-3-5-14-12-13(2)6-7-15(14)18-11-4-9-17-10-8-16/h3,6-7,12,17H,1,4-5,8-11,16H2,2H3
InChIKeyXDOFGRMBGUGGHF-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.04
Rot. Bonds9

About N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine

N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine (PubChem CID 2297543) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine
PubChem CID2297543
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine
SMILESC=CCc1cc(C)ccc1OCCCNCCN
InChIInChI=1S/C15H24N2O/c1-3-5-14-12-13(2)6-7-15(14)18-11-4-9-17-10-8-16/h3,6-7,12,17H,1,4-5,8-11,16H2,2H3
InChIKeyXDOFGRMBGUGGHF-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-4-(4-methyl-2-prop-2-enylphenoxy)butan-1-amine
CID 2581626
2-[4-(4-methyl-2-prop-2-enylphenoxy)butylamino]ethanol;oxalic acid
CID 2922603
4-[3-(propan-2-ylamino)propoxy]-3-prop-2-enylaniline
CID 10332272
N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688
1-methyl-4-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]piperazine-1,4-diium
CID 2299280
N'-[4-(2-bromo-4-methylphenoxy)butyl]ethane-1,2-diamine;oxalic acid
CID 2923994
3-(4-ethoxy-2-prop-2-enylphenoxy)propan-1-amine
CID 62598605
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
N,N-diethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2298077
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
4-(2-bromo-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2296576

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine (CID 2297543) is N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine is C=CCc1cc(C)ccc1OCCCNCCN.
What is the InChIKey of N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine?
The InChIKey is XDOFGRMBGUGGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-14-12-13(2)6-7-15(14)18-11-4-9-17-10-8-16/h3,6-7,12,17H,1,4-5,8-11,16H2,2H3.
What are the key properties of N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine?
N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methyl-2-prop-2-enylphenoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 2297543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).