N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine

C18H27NO — CID 79365200

IUPACN-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(C2OCCCC2CNC2CC2)cc1
InChIInChI=1S/C18H27NO/c1-13(2)14-5-7-15(8-6-14)18-16(4-3-11-20-18)12-19-17-9-10-17/h5-8,13,16-19H,3-4,9-12H2,1-2H3
InChIKeyNFZDTDLKSNPFJQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds5

About N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine

N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine (PubChem CID 79365200) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
PubChem CID79365200
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(C2OCCCC2CNC2CC2)cc1
InChIInChI=1S/C18H27NO/c1-13(2)14-5-7-15(8-6-14)18-16(4-3-11-20-18)12-19-17-9-10-17/h5-8,13,16-19H,3-4,9-12H2,1-2H3
InChIKeyNFZDTDLKSNPFJQ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine (CID 79365200) is N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine is CC(C)c1ccc(C2OCCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is NFZDTDLKSNPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)14-5-7-15(8-6-14)18-16(4-3-11-20-18)12-19-17-9-10-17/h5-8,13,16-19H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine?
N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79365200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).