1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine

C10H15BrN2O — CID 163538279

IUPAC1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
SMILESCC(N)NCCOc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O/c1-8(12)13-5-6-14-10-4-2-3-9(11)7-10/h2-4,7-8,13H,5-6,12H2,1H3
InChIKeyDYWNPRBWAVFZAD-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.72
Rot. Bonds5

About 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine

1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine (PubChem CID 163538279) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
PubChem CID163538279
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
SMILESCC(N)NCCOc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2O/c1-8(12)13-5-6-14-10-4-2-3-9(11)7-10/h2-4,7-8,13H,5-6,12H2,1H3
InChIKeyDYWNPRBWAVFZAD-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
3-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 113484809
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
N-[2-(3-bromophenoxy)ethyl]-1-pyridin-2-ylethanamine
CID 60694300
(1S)-N-[2-(3-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81378313
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
N-[2-(3-bromophenoxy)ethyl]pyrrol-1-amine
CID 79101261
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine (CID 163538279) is 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine is CC(N)NCCOc1cccc(Br)c1.
What is the InChIKey of 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine?
The InChIKey is DYWNPRBWAVFZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-8(12)13-5-6-14-10-4-2-3-9(11)7-10/h2-4,7-8,13H,5-6,12H2,1H3.
What are the key properties of 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine?
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine has a molecular weight of 259.15 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine is sourced from PubChem (CID 163538279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).