N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine

C13H18BrNO2 — CID 114199468

IUPACN-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Oc2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrNO2/c1-16-8-7-15-10-13(5-6-13)17-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8,10H2,1H3
InChIKeyNMWJYXAQFKZGBM-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.60
Rot. Bonds7

About N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine

N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 114199468) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID114199468
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Oc2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrNO2/c1-16-8-7-15-10-13(5-6-13)17-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8,10H2,1H3
InChIKeyNMWJYXAQFKZGBM-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199476
N-[[1-(2,3-dimethylphenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199443
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114099923
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
1-[[2-(3-bromophenoxy)ethylamino]methyl]cycloheptan-1-ol
CID 65123551
2-(3-bromophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723257
N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63550513
N-[[2-(3-bromophenyl)-2-methylcyclopropyl]methyl]-2-methoxyethanamine
CID 55135134
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
1-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942914

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine (CID 114199468) is N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1(Oc2cccc(Br)c2)CC1.
What is the InChIKey of N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is NMWJYXAQFKZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-8-7-15-10-13(5-6-13)17-12-4-2-3-11(14)9-12/h2-4,9,15H,5-8,10H2,1H3.
What are the key properties of N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 300.20 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114199468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).