N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine

C14H24N2O — CID 2299706

IUPACN'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine
SMILESCCc1cccc(OCCCCNCCN)c1
InChIInChI=1S/C14H24N2O/c1-2-13-6-5-7-14(12-13)17-11-4-3-9-16-10-8-15/h5-7,12,16H,2-4,8-11,15H2,1H3
InChIKeyKGUJPFVZTUZVJU-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.96
Rot. Bonds9

About N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine

N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine (PubChem CID 2299706) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine
PubChem CID2299706
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine
SMILESCCc1cccc(OCCCCNCCN)c1
InChIInChI=1S/C14H24N2O/c1-2-13-6-5-7-14(12-13)17-11-4-3-9-16-10-8-15/h5-7,12,16H,2-4,8-11,15H2,1H3
InChIKeyKGUJPFVZTUZVJU-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.96
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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Related Compounds

5-(3-ethylphenoxy)-N-propylpentan-1-amine
CID 62449956
3-(3-ethylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599161
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
1-(4-bromobutoxy)-3-ethylbenzene
CID 43165198
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118
N'-[(3-ethylphenyl)methyl]propane-1,3-diamine;1-hexoxy-3-methylbenzene
CID 142253201
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2922395

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine (CID 2299706) is N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine is CCc1cccc(OCCCCNCCN)c1.
What is the InChIKey of N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine?
The InChIKey is KGUJPFVZTUZVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-13-6-5-7-14(12-13)17-11-4-3-9-16-10-8-15/h5-7,12,16H,2-4,8-11,15H2,1H3.
What are the key properties of N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine?
N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-ethylphenoxy)butyl]ethane-1,2-diamine is sourced from PubChem (CID 2299706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).