1-(oxan-3-yl)-4-phenylcyclohexan-1-amine

C17H25NO — CID 107135780

IUPAC1-(oxan-3-yl)-4-phenylcyclohexan-1-amine
SMILESNC1(C2CCCOC2)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c18-17(16-7-4-12-19-13-16)10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2
InChIKeyZDKLMYRJHJZHFN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.47
Rot. Bonds2

About 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine

1-(oxan-3-yl)-4-phenylcyclohexan-1-amine (PubChem CID 107135780) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-4-phenylcyclohexan-1-amine
PubChem CID107135780
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(oxan-3-yl)-4-phenylcyclohexan-1-amine
SMILESNC1(C2CCCOC2)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c18-17(16-7-4-12-19-13-16)10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2
InChIKeyZDKLMYRJHJZHFN-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
CID 55096105
(3R)-3-phenyloxolane
CID 92859476
6-phenylspiro[2.5]octane
CID 123640963
2-(oxan-3-yl)-1,3-dihydroinden-2-ol
CID 107135477
benzene;cyclopropylbenzene
CID 144638417
cyclopentylbenzene;iron
CID 158512704
(3S,4R)-3-phenyloxan-4-amine
CID 140767373
1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine
CID 117334927
1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine
CID 63407795
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
CID 159076923
CID 159076923

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine (CID 107135780) is 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine is NC1(C2CCCOC2)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine?
The InChIKey is ZDKLMYRJHJZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(16-7-4-12-19-13-16)10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2.
What are the key properties of 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine?
1-(oxan-3-yl)-4-phenylcyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 107135780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).