N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine

C16H24FNO — CID 107688044

IUPACN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
SMILESCCCC(C)COc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-3-4-12(2)11-19-16-8-5-13(9-15(16)17)10-18-14-6-7-14/h5,8-9,12,14,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyCERFQRIZKYWLLU-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.89
Rot. Bonds8

About N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine (PubChem CID 107688044) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
PubChem CID107688044
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
SMILESCCCC(C)COc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C16H24FNO/c1-3-4-12(2)11-19-16-8-5-13(9-15(16)17)10-18-14-6-7-14/h5,8-9,12,14,18H,3-4,6-7,10-11H2,1-2H3
InChIKeyCERFQRIZKYWLLU-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107687215
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798
4-(chloromethyl)-2-fluoro-1-(2-methylpentoxy)benzene
CID 107691330
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
N-[[3-(2-methylpentoxymethyl)phenyl]methyl]cyclopropanamine
CID 103285638
N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688184
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
CID 107687996

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine (CID 107688044) is N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine is CCCC(C)COc1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is CERFQRIZKYWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-4-12(2)11-19-16-8-5-13(9-15(16)17)10-18-14-6-7-14/h5,8-9,12,14,18H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 265.37 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107688044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).