N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine

C8H11FN2 — CID 141109695

IUPACN-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine
SMILESFc1c[nH]cc1CNC1CC1
InChIInChI=1S/C8H11FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h3,5,7,10-11H,1-2,4H2
InChIKeyJNDQKDAQHIABNS-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.41
Rot. Bonds3

About N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine

N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine (PubChem CID 141109695) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine
PubChem CID141109695
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC NameN-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine
SMILESFc1c[nH]cc1CNC1CC1
InChIInChI=1S/C8H11FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h3,5,7,10-11H,1-2,4H2
InChIKeyJNDQKDAQHIABNS-UHFFFAOYSA-N
XLogP1.41
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]cyclopropanamine;hydrochloride
CID 167530137
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(4-chloro-2,5-difluorophenyl)methyl]cyclopentanamine
CID 82781872
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
N-[[2-(2,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 115503138

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine (CID 141109695) is N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine is Fc1c[nH]cc1CNC1CC1.
What is the InChIKey of N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine?
The InChIKey is JNDQKDAQHIABNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c9-8-5-10-3-6(8)4-11-7-1-2-7/h3,5,7,10-11H,1-2,4H2.
What are the key properties of N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine?
N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine has a molecular weight of 154.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1H-pyrrol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 141109695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).