1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine

C17H25NO — CID 55096105

IUPAC1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
SMILESNC1(CC2CCCO2)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c18-17(13-16-7-4-12-19-16)10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2
InChIKeyXYBDHJIGEOXWKF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds3

About 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine

1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine (PubChem CID 55096105) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
PubChem CID55096105
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine
SMILESNC1(CC2CCCO2)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c18-17(13-16-7-4-12-19-16)10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,18H2
InChIKeyXYBDHJIGEOXWKF-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 126979079
4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
4-tert-butyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65090010
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
1-(oxan-3-yl)-4-phenylcyclohexan-1-amine
CID 107135780
(5S)-3-[[(2S)-oxolan-2-yl]methylimino]-5-phenylcyclohexan-1-one
CID 7305513
2-[2-(2-chloro-5-phenylcyclohexyl)ethyl]oxolane
CID 65166104
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
6-phenylspiro[2.5]octane
CID 123640963
(2R,3S)-2-phenyloxan-3-amine
CID 131044940
3-(oxolan-2-yl)-1-(1-phenylcyclohexyl)propan-1-amine
CID 65164463

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine (CID 55096105) is 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine is NC1(CC2CCCO2)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine?
The InChIKey is XYBDHJIGEOXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(13-16-7-4-12-19-16)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-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine?
1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 55096105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).