N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine

C17H27NO2 — CID 62905659

IUPACN-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)C1CCOCC1
InChIInChI=1S/C17H27NO2/c1-4-18-17(15-9-11-19-12-10-15)14-5-7-16(8-6-14)20-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3
InChIKeyQKHBEGQTOWLOHG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds6

About N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine

N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 62905659) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID62905659
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC(C)C)cc1)C1CCOCC1
InChIInChI=1S/C17H27NO2/c1-4-18-17(15-9-11-19-12-10-15)14-5-7-16(8-6-14)20-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3
InChIKeyQKHBEGQTOWLOHG-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 62906368
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157
N-[cycloheptyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63508835
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 62905659) is N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC(C)C)cc1)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is QKHBEGQTOWLOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-17(15-9-11-19-12-10-15)14-5-7-16(8-6-14)20-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3.
What are the key properties of N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62905659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).