N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

C15H17FN2 — CID 66405167

IUPACN-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cn2ccc(CNC3CC3)c2)c1
InChIInChI=1S/C15H17FN2/c16-14-3-1-2-12(8-14)10-18-7-6-13(11-18)9-17-15-4-5-15/h1-3,6-8,11,15,17H,4-5,9-10H2
InChIKeyAWMOCOKJFSSJBF-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.93
Rot. Bonds5

About N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (PubChem CID 66405167) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
PubChem CID66405167
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cn2ccc(CNC3CC3)c2)c1
InChIInChI=1S/C15H17FN2/c16-14-3-1-2-12(8-14)10-18-7-6-13(11-18)9-17-15-4-5-15/h1-3,6-8,11,15,17H,4-5,9-10H2
InChIKeyAWMOCOKJFSSJBF-UHFFFAOYSA-N
XLogP2.93
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 82920458
N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405984
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
2-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]ethanamine
CID 66404826
N-[[1-(3-phenylpropyl)pyrrol-3-yl]methyl]cyclopropanamine
CID 66406178
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201814
N-[cyclopropyl-[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79098566
N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine
CID 58171024
1-[(3-fluorophenyl)methyl]pyridin-4-imine;hydrochloride
CID 16682222
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (CID 66405167) is N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is Fc1cccc(Cn2ccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The InChIKey is AWMOCOKJFSSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-14-3-1-2-12(8-14)10-18-7-6-13(11-18)9-17-15-4-5-15/h1-3,6-8,11,15,17H,4-5,9-10H2.
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine has a molecular weight of 244.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66405167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).