N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H20FNO — CID 62718679

IUPACN-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCOC2)cc1
InChIInChI=1S/C15H20FNO/c16-13-3-1-12(2-4-13)9-15(7-8-18-11-15)10-17-14-5-6-14/h1-4,14,17H,5-11H2
InChIKeyJZLUFVQNULCLRA-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.53
Rot. Bonds5

About N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62718679) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62718679
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCOC2)cc1
InChIInChI=1S/C15H20FNO/c16-13-3-1-12(2-4-13)9-15(7-8-18-11-15)10-17-14-5-6-14/h1-4,14,17H,5-11H2
InChIKeyJZLUFVQNULCLRA-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906105
N-[[3-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62717882
N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62719385
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55111722
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906967
1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906604
N-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
N-[[3-(trimethylsilylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106323583
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 65326682
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55111579

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62718679) is N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine is Fc1ccc(CC2(CNC3CC3)CCOC2)cc1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is JZLUFVQNULCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-13-3-1-12(2-4-13)9-15(7-8-18-11-15)10-17-14-5-6-14/h1-4,14,17H,5-11H2.
What are the key properties of N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 249.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62718679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).