N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine

C14H21NO2 — CID 63055892

IUPACN-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(OCC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-16-8-7-15-10-13-3-2-4-14(9-13)17-11-12-5-6-12/h2-4,9,12,15H,5-8,10-11H2,1H3
InChIKeyAMJALYXUSCXXRF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds8

About N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine

N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63055892) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
PubChem CID63055892
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(OCC2CC2)c1
InChIInChI=1S/C14H21NO2/c1-16-8-7-15-10-13-3-2-4-14(9-13)17-11-12-5-6-12/h2-4,9,12,15H,5-8,10-11H2,1H3
InChIKeyAMJALYXUSCXXRF-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
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

N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
N-[[3-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 79562169
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837
N-[[3-(cyclopropylmethoxymethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 106931174
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
CID 64735125
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine (CID 63055892) is N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(OCC2CC2)c1.
What is the InChIKey of N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is AMJALYXUSCXXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-8-7-15-10-13-3-2-4-14(9-13)17-11-12-5-6-12/h2-4,9,12,15H,5-8,10-11H2,1H3.
What are the key properties of N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine?
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63055892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).