3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline

C11H13F2NO — CID 15871753

IUPAC3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline
SMILESCOC1(Nc2ccc(F)c(F)c2C)CC1
InChIInChI=1S/C11H13F2NO/c1-7-9(4-3-8(12)10(7)13)14-11(15-2)5-6-11/h3-4,14H,5-6H2,1-2H3
InChIKeyYIVHTLVIWLTURW-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.82
Rot. Bonds3

About 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline

3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline (PubChem CID 15871753) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline.

Molecular Properties

Compound Name3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline
PubChem CID15871753
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline
SMILESCOC1(Nc2ccc(F)c(F)c2C)CC1
InChIInChI=1S/C11H13F2NO/c1-7-9(4-3-8(12)10(7)13)14-11(15-2)5-6-11/h3-4,14H,5-6H2,1-2H3
InChIKeyYIVHTLVIWLTURW-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline?
The IUPAC name of 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline (CID 15871753) is 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline.
What is the SMILES notation for 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline?
The canonical SMILES for 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline is COC1(Nc2ccc(F)c(F)c2C)CC1.
What is the InChIKey of 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline?
The InChIKey is YIVHTLVIWLTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7-9(4-3-8(12)10(7)13)14-11(15-2)5-6-11/h3-4,14H,5-6H2,1-2H3.
What are the key properties of 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline?
3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline has a molecular weight of 213.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-methoxycyclopropyl)-2-methylaniline is sourced from PubChem (CID 15871753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).