N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine

C13H20BrNO — CID 82825017

IUPACN-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-11(2)15-8-9-16-10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyZEURMFNQSVVBEC-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.35
Rot. Bonds7

About N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine

N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine (PubChem CID 82825017) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
PubChem CID82825017
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
SMILESCCC(C)NCCOCc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-3-11(2)15-8-9-16-10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3
InChIKeyZEURMFNQSVVBEC-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
N-[2-[(2-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825030
2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]butan-2-amine
CID 55195327
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
N-[2-(5-bromo-2-fluorophenoxy)ethyl]butan-2-amine
CID 114676978
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine?
The IUPAC name of N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine (CID 82825017) is N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine is CCC(C)NCCOCc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine?
The InChIKey is ZEURMFNQSVVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-11(2)15-8-9-16-10-12-4-6-13(14)7-5-12/h4-7,11,15H,3,8-10H2,1-2H3.
What are the key properties of N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine?
N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine is sourced from PubChem (CID 82825017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).