2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine

C18H27NO — CID 103864424

IUPAC2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
SMILESCC(C)Cc1ccc(CNC2CCOC2C2CC2)cc1
InChIInChI=1S/C18H27NO/c1-13(2)11-14-3-5-15(6-4-14)12-19-17-9-10-20-18(17)16-7-8-16/h3-6,13,16-19H,7-12H2,1-2H3
InChIKeyJVMDTXBFXMGRLC-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.54
Rot. Bonds6

About 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine

2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine (PubChem CID 103864424) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
PubChem CID103864424
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
SMILESCC(C)Cc1ccc(CNC2CCOC2C2CC2)cc1
InChIInChI=1S/C18H27NO/c1-13(2)11-14-3-5-15(6-4-14)12-19-17-9-10-20-18(17)16-7-8-16/h3-6,13,16-19H,7-12H2,1-2H3
InChIKeyJVMDTXBFXMGRLC-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
CID 103864589
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
2-cyclopropyl-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 103864495
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509
N-[(5-tert-butylthiophen-2-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864566
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine (CID 103864424) is 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine is CC(C)Cc1ccc(CNC2CCOC2C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine?
The InChIKey is JVMDTXBFXMGRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)11-14-3-5-15(6-4-14)12-19-17-9-10-20-18(17)16-7-8-16/h3-6,13,16-19H,7-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine?
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 103864424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).