1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine

C15H21NO2 — CID 117371340

IUPAC1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(OC3CCCOC3)cc2)CC1
InChIInChI=1S/C15H21NO2/c16-15(7-8-15)10-12-3-5-13(6-4-12)18-14-2-1-9-17-11-14/h3-6,14H,1-2,7-11,16H2
InChIKeyFMNSCILWVPLBCU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds4

About 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine

1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117371340) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
PubChem CID117371340
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(OC3CCCOC3)cc2)CC1
InChIInChI=1S/C15H21NO2/c16-15(7-8-15)10-12-3-5-13(6-4-12)18-14-2-1-9-17-11-14/h3-6,14H,1-2,7-11,16H2
InChIKeyFMNSCILWVPLBCU-UHFFFAOYSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
CID 117440934
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
4-[4-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415300
(E)-3-[4-(oxan-3-yloxy)phenyl]prop-2-enoic acid
CID 107135192
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[2-[4-(oxan-3-yloxy)phenyl]ethyl]piperidine-3,4,5-triol
CID 157039648
2-fluoro-5-(oxan-3-yloxy)pyridine
CID 107138049
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
N-[[4-(oxolan-3-yloxy)phenyl]methyl]ethanamine
CID 63557924
2-amino-2-(4-chlorophenyl)-2-[4-(oxan-3-yloxy)phenyl]acetaldehyde;hydrochloride
CID 87574917

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine (CID 117371340) is 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2ccc(OC3CCCOC3)cc2)CC1.
What is the InChIKey of 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is FMNSCILWVPLBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-15(7-8-15)10-12-3-5-13(6-4-12)18-14-2-1-9-17-11-14/h3-6,14H,1-2,7-11,16H2.
What are the key properties of 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117371340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).