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

C18H24N2O — CID 2299976

IUPACN'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
SMILESNCCNCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C18H24N2O/c19-12-14-20-13-6-7-15-21-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,20H,6-7,12-15,19H2
InChIKeyHFKWIDHLLXDVDI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.06
Rot. Bonds9

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

N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine (PubChem CID 2299976) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
PubChem CID2299976
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
SMILESNCCNCCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C18H24N2O/c19-12-14-20-13-6-7-15-21-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,20H,6-7,12-15,19H2
InChIKeyHFKWIDHLLXDVDI-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.06
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

4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
1-octadecoxy-2-phenylbenzene
CID 70983974
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine (CID 2299976) is N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine is NCCNCCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine?
The InChIKey is HFKWIDHLLXDVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-12-14-20-13-6-7-15-21-18-11-5-4-10-17(18)16-8-2-1-3-9-16/h1-5,8-11,20H,6-7,12-15,19H2.
What are the key properties of N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine?
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine is sourced from PubChem (CID 2299976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).