2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine

C14H21NO2 — CID 130537408

IUPAC2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine
SMILESCC1OCCC1(N)CCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12-14(15,8-10-17-12)7-9-16-11-13-5-3-2-4-6-13/h2-6,12H,7-11,15H2,1H3
InChIKeyLWUXIVOQURCIAR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds5

About 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine

2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine (PubChem CID 130537408) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine
PubChem CID130537408
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine
SMILESCC1OCCC1(N)CCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12-14(15,8-10-17-12)7-9-16-11-13-5-3-2-4-6-13/h2-6,12H,7-11,15H2,1H3
InChIKeyLWUXIVOQURCIAR-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
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-methyl-2-(2-phenylmethoxyethyl)oxolane
CID 151587954
1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 103581260
2-(iodomethyl)-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 142703154
2-phenyl-2-(2-phenylmethoxyethyl)-1,3-dioxolane
CID 101039125
3-[1-(chloromethyl)-2-methylcyclopropyl]propoxymethylbenzene
CID 165445447
3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 114535509
(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
3-[1-(bromomethyl)-3-methylcyclobutyl]propoxymethylbenzene
CID 165445921
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
3-[2-(2-phenylmethoxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 14395384
N-methyl-1-[1-(2-phenylmethoxyethyl)cyclopropyl]ethanamine
CID 130537033
ethane;2-phenylmethoxyethanamine
CID 142016503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine?
The IUPAC name of 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine (CID 130537408) is 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine is CC1OCCC1(N)CCOCc1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine?
The InChIKey is LWUXIVOQURCIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-14(15,8-10-17-12)7-9-16-11-13-5-3-2-4-6-13/h2-6,12H,7-11,15H2,1H3.
What are the key properties of 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine?
2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine has a molecular weight of 235.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylmethoxyethyl)oxolan-3-amine is sourced from PubChem (CID 130537408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).