1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine

C14H16F2N2 — CID 162389133

IUPAC1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
SMILESCN(C)C1(Cn2ccc3c(F)c(F)ccc32)CC1
InChIInChI=1S/C14H16F2N2/c1-17(2)14(6-7-14)9-18-8-5-10-12(18)4-3-11(15)13(10)16/h3-5,8H,6-7,9H2,1-2H3
InChIKeyYUMVDISHJQQJNA-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.01
Rot. Bonds3

About 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine

1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine (PubChem CID 162389133) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
PubChem CID162389133
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
SMILESCN(C)C1(Cn2ccc3c(F)c(F)ccc32)CC1
InChIInChI=1S/C14H16F2N2/c1-17(2)14(6-7-14)9-18-8-5-10-12(18)4-3-11(15)13(10)16/h3-5,8H,6-7,9H2,1-2H3
InChIKeyYUMVDISHJQQJNA-UHFFFAOYSA-N
XLogP3.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine (CID 162389133) is 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine is CN(C)C1(Cn2ccc3c(F)c(F)ccc32)CC1.
What is the InChIKey of 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
The InChIKey is YUMVDISHJQQJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-17(2)14(6-7-14)9-18-8-5-10-12(18)4-3-11(15)13(10)16/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine has a molecular weight of 250.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 162389133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).