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

C17H25NO2 — CID 117440934

IUPAC1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(OC3CCCOC3)cc2)CCCCC1
InChIInChI=1S/C17H25NO2/c18-17(10-2-1-3-11-17)14-6-8-15(9-7-14)20-16-5-4-12-19-13-16/h6-9,16H,1-5,10-13,18H2
InChIKeyHAGQPAPZNTWYIG-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.36
Rot. Bonds3

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

1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine (PubChem CID 117440934) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
PubChem CID117440934
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(OC3CCCOC3)cc2)CCCCC1
InChIInChI=1S/C17H25NO2/c18-17(10-2-1-3-11-17)14-6-8-15(9-7-14)20-16-5-4-12-19-13-16/h6-9,16H,1-5,10-13,18H2
InChIKeyHAGQPAPZNTWYIG-UHFFFAOYSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
1-[[4-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117371340
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117408251
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
(3R)-3-[4-(2-methylpropyl)phenoxy]oxane
CID 178142322
(E)-3-[4-(oxan-3-yloxy)phenyl]prop-2-enoic acid
CID 107135192
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
2-fluoro-5-(oxan-3-yloxy)pyridine
CID 107138049
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine (CID 117440934) is 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine is NC1(c2ccc(OC3CCCOC3)cc2)CCCCC1.
What is the InChIKey of 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine?
The InChIKey is HAGQPAPZNTWYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c18-17(10-2-1-3-11-17)14-6-8-15(9-7-14)20-16-5-4-12-19-13-16/h6-9,16H,1-5,10-13,18H2.
What are the key properties of 1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine?
1-[4-(oxan-3-yloxy)phenyl]cyclohexan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.36, 3 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]cyclohexan-1-amine is sourced from PubChem (CID 117440934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).