N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine

C16H22FNO — CID 62906105

IUPACN-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCOCC2)cc1
InChIInChI=1S/C16H22FNO/c17-14-3-1-13(2-4-14)11-16(7-9-19-10-8-16)12-18-15-5-6-15/h1-4,15,18H,5-12H2
InChIKeyCTLNKUOOCYMCGV-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.92
Rot. Bonds5

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

N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62906105) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62906105
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(CC2(CNC3CC3)CCOCC2)cc1
InChIInChI=1S/C16H22FNO/c17-14-3-1-13(2-4-14)11-16(7-9-19-10-8-16)12-18-15-5-6-15/h1-4,15,18H,5-12H2
InChIKeyCTLNKUOOCYMCGV-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(4-fluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62718679
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-[(2,5-difluorophenyl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62717882
N-[[4-(furan-2-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62999058
N-[[4-[(2-methylphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62906269
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211
N-[[3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62719385
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62906105) is N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is Fc1ccc(CC2(CNC3CC3)CCOCC2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is CTLNKUOOCYMCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-3-1-13(2-4-14)11-16(7-9-19-10-8-16)12-18-15-5-6-15/h1-4,15,18H,5-12H2.
What are the key properties of N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 263.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62906105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).