N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine

C16H21F2NO — CID 62906967

IUPACN-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCOCC2)c(F)c1
InChIInChI=1S/C16H21F2NO/c17-13-2-1-12(15(18)9-13)10-16(5-7-20-8-6-16)11-19-14-3-4-14/h1-2,9,14,19H,3-8,10-11H2
InChIKeyXVCBLDTUICSRTK-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.06
Rot. Bonds5

About N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62906967) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62906967
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCOCC2)c(F)c1
InChIInChI=1S/C16H21F2NO/c17-13-2-1-12(15(18)9-13)10-16(5-7-20-8-6-16)11-19-14-3-4-14/h1-2,9,14,19H,3-8,10-11H2
InChIKeyXVCBLDTUICSRTK-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine with MolForge

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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-[[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 107897466
N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62718679
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906269
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919
1-[4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906086
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019
4-[(2,4-difluorophenyl)methyl]oxane-4-carbonitrile
CID 65395002
N-[[3-[(2-chloro-6-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55111722

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62906967) is N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is Fc1ccc(CC2(CNC3CC3)CCOCC2)c(F)c1.
What is the InChIKey of N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is XVCBLDTUICSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-13-2-1-12(15(18)9-13)10-16(5-7-20-8-6-16)11-19-14-3-4-14/h1-2,9,14,19H,3-8,10-11H2.
What are the key properties of N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 281.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62906967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).