N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine

C13H16F3N — CID 81018961

IUPACN-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N/c1-8(6-7-17-9-2-3-9)10-4-5-11(14)13(16)12(10)15/h4-5,8-9,17H,2-3,6-7H2,1H3
InChIKeyVBQISKFGEPGBDM-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.35
Rot. Bonds5

About N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine

N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine (PubChem CID 81018961) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine
PubChem CID81018961
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC NameN-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H16F3N/c1-8(6-7-17-9-2-3-9)10-4-5-11(14)13(16)12(10)15/h4-5,8-9,17H,2-3,6-7H2,1H3
InChIKeyVBQISKFGEPGBDM-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81012969
N-[3-(2,6-difluoro-3-methylphenyl)butyl]cyclopropanamine
CID 82827539
N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
CID 81018611
N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
CID 112514733
N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
CID 102838929
N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
CID 112514545
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
N-[3-(2,3-difluoro-4-methylphenyl)-2-methylbutyl]cyclopropanamine
CID 107514728
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
4-(2,3,4-trifluorophenyl)pentan-2-amine
CID 64721181
3-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62985090

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine (CID 81018961) is N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine is CC(CCNC1CC1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine?
The InChIKey is VBQISKFGEPGBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-8(6-7-17-9-2-3-9)10-4-5-11(14)13(16)12(10)15/h4-5,8-9,17H,2-3,6-7H2,1H3.
What are the key properties of N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine?
N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine has a molecular weight of 243.27 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine is sourced from PubChem (CID 81018961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).