(3-phenylmethoxyoxolan-3-yl)methanamine

C12H17NO2 — CID 115025185

IUPAC(3-phenylmethoxyoxolan-3-yl)methanamine
SMILESNCC1(OCc2ccccc2)CCOC1
InChIInChI=1S/C12H17NO2/c13-9-12(6-7-14-10-12)15-8-11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKeyGXYNDKOEMGWNNZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.32
Rot. Bonds4

About (3-phenylmethoxyoxolan-3-yl)methanamine

(3-phenylmethoxyoxolan-3-yl)methanamine (PubChem CID 115025185) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3-phenylmethoxyoxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-phenylmethoxyoxolan-3-yl)methanamine
PubChem CID115025185
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3-phenylmethoxyoxolan-3-yl)methanamine
SMILESNCC1(OCc2ccccc2)CCOC1
InChIInChI=1S/C12H17NO2/c13-9-12(6-7-14-10-12)15-8-11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKeyGXYNDKOEMGWNNZ-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
[4-[(4-fluorophenyl)methoxy]oxan-4-yl]methanamine
CID 65051707
[4-(2-phenylethoxy)oxan-4-yl]methanamine
CID 65051705
2-(3-phenylmethoxyoxetan-3-yl)ethanol
CID 130202999
3-(aminomethyl)-N-benzyloxolan-3-amine
CID 65384002
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide
CID 65051814
[4-(quinolin-2-ylmethoxy)oxan-4-yl]methanamine
CID 65051820
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
[3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine
CID 114084056

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxyoxolan-3-yl)methanamine?
The IUPAC name of (3-phenylmethoxyoxolan-3-yl)methanamine (CID 115025185) is (3-phenylmethoxyoxolan-3-yl)methanamine.
What is the SMILES notation for (3-phenylmethoxyoxolan-3-yl)methanamine?
The canonical SMILES for (3-phenylmethoxyoxolan-3-yl)methanamine is NCC1(OCc2ccccc2)CCOC1.
What is the InChIKey of (3-phenylmethoxyoxolan-3-yl)methanamine?
The InChIKey is GXYNDKOEMGWNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-9-12(6-7-14-10-12)15-8-11-4-2-1-3-5-11/h1-5H,6-10,13H2.
What are the key properties of (3-phenylmethoxyoxolan-3-yl)methanamine?
(3-phenylmethoxyoxolan-3-yl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxyoxolan-3-yl)methanamine is sourced from PubChem (CID 115025185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).