2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine

C14H17F2NO — CID 103864589

IUPAC2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
SMILESFc1ccc(CNC2CCOC2C2CC2)cc1F
InChIInChI=1S/C14H17F2NO/c15-11-4-1-9(7-12(11)16)8-17-13-5-6-18-14(13)10-2-3-10/h1,4,7,10,13-14,17H,2-3,5-6,8H2
InChIKeyQVCUESDJSJIURW-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.62
Rot. Bonds4

About 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine

2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine (PubChem CID 103864589) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
PubChem CID103864589
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine
SMILESFc1ccc(CNC2CCOC2C2CC2)cc1F
InChIInChI=1S/C14H17F2NO/c15-11-4-1-9(7-12(11)16)8-17-13-5-6-18-14(13)10-2-3-10/h1,4,7,10,13-14,17H,2-3,5-6,8H2
InChIKeyQVCUESDJSJIURW-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
2-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 103864489
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
2-cyclopropyl-N-[[4-(diethylamino)phenyl]methyl]oxolan-3-amine
CID 103864488
2-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxolan-3-amine
CID 103864389
N-[(3,4-difluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62396100
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509
N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 114118996
2-cyclopropyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 103864594

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine (CID 103864589) is 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine is Fc1ccc(CNC2CCOC2C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine?
The InChIKey is QVCUESDJSJIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-11-4-1-9(7-12(11)16)8-17-13-5-6-18-14(13)10-2-3-10/h1,4,7,10,13-14,17H,2-3,5-6,8H2.
What are the key properties of 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine?
2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine has a molecular weight of 253.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,4-difluorophenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 103864589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).