[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine

C18H27NO2 — CID 117467815

IUPAC[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(OC3CCOCC3)c2)CCCCC1
InChIInChI=1S/C18H27NO2/c19-14-18(9-2-1-3-10-18)15-5-4-6-17(13-15)21-16-7-11-20-12-8-16/h4-6,13,16H,1-3,7-12,14,19H2
InChIKeyPVPFRQCNIQHMQL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.40
Rot. Bonds4

About [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine

[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine (PubChem CID 117467815) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
PubChem CID117467815
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(OC3CCOCC3)c2)CCCCC1
InChIInChI=1S/C18H27NO2/c19-14-18(9-2-1-3-10-18)15-5-4-6-17(13-15)21-16-7-11-20-12-8-16/h4-6,13,16H,1-3,7-12,14,19H2
InChIKeyPVPFRQCNIQHMQL-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclohexyl]methanamine
CID 117438827
[1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentyl]methanamine
CID 117405631
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
[1-(4-cyclobutyloxyphenyl)cyclohexyl]methanamine
CID 117402976
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117408251
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117408023
4-[3-[1-(aminomethyl)cyclobutyl]phenoxy]aniline
CID 116996678
[1-(3-phenylmethoxyphenyl)cyclopentyl]methanamine
CID 117451817
1-[[3-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-amine
CID 117338698
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
2-[1-[3-(oxan-3-yloxy)phenyl]cyclopropyl]acetic acid
CID 117442548

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine (CID 117467815) is [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine is NCC1(c2cccc(OC3CCOCC3)c2)CCCCC1.
What is the InChIKey of [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine?
The InChIKey is PVPFRQCNIQHMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c19-14-18(9-2-1-3-10-18)15-5-4-6-17(13-15)21-16-7-11-20-12-8-16/h4-6,13,16H,1-3,7-12,14,19H2.
What are the key properties of [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine?
[1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxan-4-yloxy)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 117467815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).