N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

C15H16F2N2 — CID 82920458

IUPACN-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(Cn2ccc(CNC3CC3)c2)cc1F
InChIInChI=1S/C15H16F2N2/c16-14-4-1-11(7-15(14)17)9-19-6-5-12(10-19)8-18-13-2-3-13/h1,4-7,10,13,18H,2-3,8-9H2
InChIKeyKQUVQTPIRGGZDP-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.07
Rot. Bonds5

About N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine

N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (PubChem CID 82920458) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
PubChem CID82920458
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC NameN-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(Cn2ccc(CNC3CC3)c2)cc1F
InChIInChI=1S/C15H16F2N2/c16-14-4-1-11(7-15(14)17)9-19-6-5-12(10-19)8-18-13-2-3-13/h1,4-7,10,13,18H,2-3,8-9H2
InChIKeyKQUVQTPIRGGZDP-UHFFFAOYSA-N
XLogP3.07
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-bromo-4-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405984
N-[[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405167
N-[[1-[(4-bromophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66406788
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 82923811
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66404154
1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 82919683

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine (CID 82920458) is N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is Fc1ccc(Cn2ccc(CNC3CC3)c2)cc1F.
What is the InChIKey of N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
The InChIKey is KQUVQTPIRGGZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c16-14-4-1-11(7-15(14)17)9-19-6-5-12(10-19)8-18-13-2-3-13/h1,4-7,10,13,18H,2-3,8-9H2.
What are the key properties of N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine?
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine has a molecular weight of 262.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82920458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).