N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine

C14H20BrNO — CID 83140423

IUPACN-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
SMILESCc1cc(OCCNC(C)C2CC2)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-10-9-13(5-6-14(10)15)17-8-7-16-11(2)12-3-4-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3
InChIKeyDCZNTSBLANSIQY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine

N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine (PubChem CID 83140423) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
PubChem CID83140423
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine
SMILESCc1cc(OCCNC(C)C2CC2)ccc1Br
InChIInChI=1S/C14H20BrNO/c1-10-9-13(5-6-14(10)15)17-8-7-16-11(2)12-3-4-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3
InChIKeyDCZNTSBLANSIQY-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.52
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

1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
N-[2-(4-bromo-3-methylphenoxy)ethyl]pentan-2-amine
CID 83140018
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 83140093
1-cyclopropyl-N-[2-(3,5-dichlorophenoxy)ethyl]ethanamine
CID 62585284
N-[6-(4-bromo-3-methylphenoxy)hexyl]cyclopropanamine
CID 83134751
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-[2-(4-bromo-3-methylphenoxy)ethyl]acetamide
CID 163375220
(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
CID 97230820
2-methylpropyl N-[2-(4-bromo-3-methylphenoxy)ethyl]carbamate
CID 91579496
N-[2-(4-bromo-3-methylphenoxy)ethyl]-3-methylaniline
CID 83140916

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine (CID 83140423) is N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine is Cc1cc(OCCNC(C)C2CC2)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine?
The InChIKey is DCZNTSBLANSIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-9-13(5-6-14(10)15)17-8-7-16-11(2)12-3-4-12/h5-6,9,11-12,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine?
N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methylphenoxy)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 83140423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).