N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine

C16H20F2N2O — CID 59494429

IUPACN-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
SMILESCOCCCn1cc(CNC2CC2)c2cc(F)c(F)cc21
InChIInChI=1S/C16H20F2N2O/c1-21-6-2-5-20-10-11(9-19-12-3-4-12)13-7-14(17)15(18)8-16(13)20/h7-8,10,12,19H,2-6,9H2,1H3
InChIKeyLKDPUKIYGHKTHM-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.21
Rot. Bonds7

About N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine

N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine (PubChem CID 59494429) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
PubChem CID59494429
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC NameN-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
SMILESCOCCCn1cc(CNC2CC2)c2cc(F)c(F)cc21
InChIInChI=1S/C16H20F2N2O/c1-21-6-2-5-20-10-11(9-19-12-3-4-12)13-7-14(17)15(18)8-16(13)20/h7-8,10,12,19H,2-6,9H2,1H3
InChIKeyLKDPUKIYGHKTHM-UHFFFAOYSA-N
XLogP3.21
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine (CID 59494429) is N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine is COCCCn1cc(CNC2CC2)c2cc(F)c(F)cc21.
What is the InChIKey of N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
The InChIKey is LKDPUKIYGHKTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-21-6-2-5-20-10-11(9-19-12-3-4-12)13-7-14(17)15(18)8-16(13)20/h7-8,10,12,19H,2-6,9H2,1H3.
What are the key properties of N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine has a molecular weight of 294.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 59494429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).