2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine

C17H27NO — CID 3100236

IUPAC2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine
SMILESCC(C)C1CC(CCN)(Cc2ccccc2)CCO1
InChIInChI=1S/C17H27NO/c1-14(2)16-13-17(8-10-18,9-11-19-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,18H2,1-2H3
InChIKeyWSXVXVYATOMEAJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.40
Rot. Bonds5

About 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine

2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine (PubChem CID 3100236) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine
PubChem CID3100236
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine
SMILESCC(C)C1CC(CCN)(Cc2ccccc2)CCO1
InChIInChI=1S/C17H27NO/c1-14(2)16-13-17(8-10-18,9-11-19-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,18H2,1-2H3
InChIKeyWSXVXVYATOMEAJ-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-5-phenethyltetrahydrofuran
CID 11506691
2-(2-Isopropyl-4-phenyl-tetrahydro-pyran-4-yl)-ethylamine
CID 16682039
(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
1-(4-Phenyloxan-4-yl)methanamine
CID 6483779
1-(Oxan-4-yl)-1-phenylmethanamine
CID 54593643
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine?
The IUPAC name of 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine (CID 3100236) is 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine?
The canonical SMILES for 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine is CC(C)C1CC(CCN)(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine?
The InChIKey is WSXVXVYATOMEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)16-13-17(8-10-18,9-11-19-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13,18H2,1-2H3.
What are the key properties of 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine?
2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-propan-2-yloxan-4-yl)ethanamine is sourced from PubChem (CID 3100236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).