N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine

C14H24N2O — CID 2297580

IUPACN'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
SMILESCc1cc(OCCNCCN)ccc1C(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)14-5-4-13(10-12(14)3)17-9-8-16-7-6-15/h4-5,10-11,16H,6-9,15H2,1-3H3
InChIKeyCVTFKESRGOHKAW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds7

About N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine

N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine (PubChem CID 2297580) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
PubChem CID2297580
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
SMILESCc1cc(OCCNCCN)ccc1C(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)14-5-4-13(10-12(14)3)17-9-8-16-7-6-15/h4-5,10-11,16H,6-9,15H2,1-3H3
InChIKeyCVTFKESRGOHKAW-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine (CID 2297580) is N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine is Cc1cc(OCCNCCN)ccc1C(C)C.
What is the InChIKey of N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is CVTFKESRGOHKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)14-5-4-13(10-12(14)3)17-9-8-16-7-6-15/h4-5,10-11,16H,6-9,15H2,1-3H3.
What are the key properties of N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine?
N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2297580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).