[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine

C16H25NO — CID 105050818

IUPAC[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCCCO2)c1
InChIInChI=1S/C16H25NO/c1-12(2)10-13-6-5-7-14(11-13)16(17)15-8-3-4-9-18-15/h5-7,11-12,15-16H,3-4,8-10,17H2,1-2H3
InChIKeyDVLOIXHTEDCUDN-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.45
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine

[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine (PubChem CID 105050818) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
PubChem CID105050818
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
SMILESCC(C)Cc1cccc(C(N)C2CCCCO2)c1
InChIInChI=1S/C16H25NO/c1-12(2)10-13-6-5-7-14(11-13)16(17)15-8-3-4-9-18-15/h5-7,11-12,15-16H,3-4,8-10,17H2,1-2H3
InChIKeyDVLOIXHTEDCUDN-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
(4-methylmorpholin-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544706
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
[3-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
CID 116544898
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544912
dibenzofuran-2-yl(oxan-2-yl)methanamine
CID 62214403
(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 62215307
5-[amino(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213868
1-[3-(2-methylpropyl)phenyl]-2-phenylethanamine
CID 116543879

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine (CID 105050818) is [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine is CC(C)Cc1cccc(C(N)C2CCCCO2)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine?
The InChIKey is DVLOIXHTEDCUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)10-13-6-5-7-14(11-13)16(17)15-8-3-4-9-18-15/h5-7,11-12,15-16H,3-4,8-10,17H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine?
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine is sourced from PubChem (CID 105050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).