2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine

C16H25NO — CID 3143078

IUPAC2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine
SMILESCC1(C)CC(CCN)(Cc2ccccc2)CCO1
InChIInChI=1S/C16H25NO/c1-15(2)13-16(8-10-17,9-11-18-15)12-14-6-4-3-5-7-14/h3-7H,8-13,17H2,1-2H3
InChIKeyPIEDATHHFQLXTM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine

2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine (PubChem CID 3143078) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine
PubChem CID3143078
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine
SMILESCC1(C)CC(CCN)(Cc2ccccc2)CCO1
InChIInChI=1S/C16H25NO/c1-15(2)13-16(8-10-17,9-11-18-15)12-14-6-4-3-5-7-14/h3-7H,8-13,17H2,1-2H3
InChIKeyPIEDATHHFQLXTM-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-5-phenethyltetrahydrofuran
CID 11506691
1-(4-Phenyloxan-4-yl)methanamine
CID 6483779
(4-(4-Fluorophenyl)oxan-4-yl)methanamine
CID 6484227
(4-(3-Fluorophenyl)oxan-4-yl)methanamine
CID 17609124
2-(4-benzyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 16192589
2-[4-[(2-Chlorophenyl)methyl]-2,2-dimethyloxan-4-yl]ethanamine
CID 4532541
2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3132830
2-(2-Isopropyl-4-p-tolyl-tetrahydro-pyran-4-yl)-ethylamine
CID 2965330
2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine
CID 2772142
2-[4-(4-fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl]ethanamine
CID 2835263
3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-(4-fluoro-phenyl)-propylamine
CID 3129812
(4-Methoxy-1-phenylcyclohexyl)methanamine
CID 69089363

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine?
The IUPAC name of 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine (CID 3143078) is 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine?
The canonical SMILES for 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine is CC1(C)CC(CCN)(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine?
The InChIKey is PIEDATHHFQLXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)13-16(8-10-17,9-11-18-15)12-14-6-4-3-5-7-14/h3-7H,8-13,17H2,1-2H3.
What are the key properties of 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine?
2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine is sourced from PubChem (CID 3143078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).