1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine

C19H23NO2 — CID 54805017

IUPAC1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
SMILESc1ccc(OCCOc2ccccc2CNCC2CC2)cc1
InChIInChI=1S/C19H23NO2/c1-2-7-18(8-3-1)21-12-13-22-19-9-5-4-6-17(19)15-20-14-16-10-11-16/h1-9,16,20H,10-15H2
InChIKeyVFKBKAVKNFSUBT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.64
Rot. Bonds9

About 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine

1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine (PubChem CID 54805017) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
PubChem CID54805017
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
SMILESc1ccc(OCCOc2ccccc2CNCC2CC2)cc1
InChIInChI=1S/C19H23NO2/c1-2-7-18(8-3-1)21-12-13-22-19-9-5-4-6-17(19)15-20-14-16-10-11-16/h1-9,16,20H,10-15H2
InChIKeyVFKBKAVKNFSUBT-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.64
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

1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-cyclopropylmethanamine
CID 57269923
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
CID 54805012
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767
4-fluoro-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796483
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927976
2-[2-(3-phenoxypropoxy)phenyl]ethanol
CID 107258184
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
CID 107411817
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine (CID 54805017) is 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine is c1ccc(OCCOc2ccccc2CNCC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine?
The InChIKey is VFKBKAVKNFSUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-7-18(8-3-1)21-12-13-22-19-9-5-4-6-17(19)15-20-14-16-10-11-16/h1-9,16,20H,10-15H2.
What are the key properties of 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine?
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine has a molecular weight of 297.40 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 54805017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).