N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine

C13H17F2N — CID 81018611

IUPACN-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-9(7-8-16-10-5-6-10)13-11(14)3-2-4-12(13)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyVRAFRDDQDNCVKL-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.21
Rot. Bonds5

About N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine

N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine (PubChem CID 81018611) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
PubChem CID81018611
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2N/c1-9(7-8-16-10-5-6-10)13-11(14)3-2-4-12(13)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyVRAFRDDQDNCVKL-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2,6-difluoro-3-methylphenyl)butyl]cyclopropanamine
CID 82827539
N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine
CID 81018961
2-(4-bromobutan-2-yl)-1,3-difluorobenzene
CID 83925329
3-(2,6-difluorophenyl)butane-1-thiol
CID 83925324
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
CID 112514733
N-[3-(3-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019891
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-(3-thiophen-3-ylbutyl)cyclopropanamine
CID 81020128
N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
CID 102838929
2-butan-2-yl-1,3-difluorobenzene
CID 56605716

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine (CID 81018611) is N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine is CC(CCNC1CC1)c1c(F)cccc1F.
What is the InChIKey of N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine?
The InChIKey is VRAFRDDQDNCVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(7-8-16-10-5-6-10)13-11(14)3-2-4-12(13)15/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine?
N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine has a molecular weight of 225.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine is sourced from PubChem (CID 81018611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).