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

C18H27NO — CID 62594253

IUPACN-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(C2(CNC3CC3)CCOCC2)cc1
InChIInChI=1S/C18H27NO/c1-14(2)15-3-5-16(6-4-15)18(9-11-20-12-10-18)13-19-17-7-8-17/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyUSSYSIUKJIRCEL-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.61
Rot. Bonds5

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

N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62594253) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
PubChem CID62594253
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(C2(CNC3CC3)CCOCC2)cc1
InChIInChI=1S/C18H27NO/c1-14(2)15-3-5-16(6-4-15)18(9-11-20-12-10-18)13-19-17-7-8-17/h3-6,14,17,19H,7-13H2,1-2H3
InChIKeyUSSYSIUKJIRCEL-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594437
N-[[2-(4-bromophenyl)-7-oxaspiro[3.5]nonan-2-yl]methyl]cyclopropanamine
CID 65006458
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
N-[[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methyl]cyclopropanamine
CID 62595731
N-[[1-(2-methoxy-4-propan-2-ylphenyl)cyclopropyl]methyl]cyclopropanamine
CID 112519191
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
N-[[3-(4-methylsulfanylphenyl)oxetan-3-yl]methyl]cyclopropanamine
CID 116870663
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1308572
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopropanamine
CID 62594065

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine (CID 62594253) is N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine is CC(C)c1ccc(C2(CNC3CC3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is USSYSIUKJIRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14(2)15-3-5-16(6-4-15)18(9-11-20-12-10-18)13-19-17-7-8-17/h3-6,14,17,19H,7-13H2,1-2H3.
What are the key properties of N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine?
N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62594253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).