N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

C15H23NO2 — CID 114199444

IUPACN-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(OC2(CNCC(C)C)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)10-16-11-15(7-8-15)18-14-6-4-5-13(9-14)17-3/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyFRZBLBUERLKSDY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds7

About N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 114199444) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID114199444
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(OC2(CNCC(C)C)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12(2)10-16-11-15(7-8-15)18-14-6-4-5-13(9-14)17-3/h4-6,9,12,16H,7-8,10-11H2,1-3H3
InChIKeyFRZBLBUERLKSDY-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199461
[1-(3-methoxyphenoxy)cyclopropyl]methanamine
CID 83920742
N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353208
N-[[4-(3-methoxyphenyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62595549
N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199421
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
N-[2-[1-[(3-methoxyphenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103272972
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
N-[[1-(3-bromophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199468
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methoxyethanamine
CID 114199476

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 114199444) is N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is COc1cccc(OC2(CNCC(C)C)CC2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FRZBLBUERLKSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)10-16-11-15(7-8-15)18-14-6-4-5-13(9-14)17-3/h4-6,9,12,16H,7-8,10-11H2,1-3H3.
What are the key properties of N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114199444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).