N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline

C15H22F2N2 — CID 63051956

IUPACN-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(c1c(F)cc(CNC(C)C)cc1F)C1CC1
InChIInChI=1S/C15H22F2N2/c1-4-19(12-5-6-12)15-13(16)7-11(8-14(15)17)9-18-10(2)3/h7-8,10,12,18H,4-6,9H2,1-3H3
InChIKeyJADSGZWHENMYOC-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.45
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline

N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 63051956) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
PubChem CID63051956
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
SMILESCCN(c1c(F)cc(CNC(C)C)cc1F)C1CC1
InChIInChI=1S/C15H22F2N2/c1-4-19(12-5-6-12)15-13(16)7-11(8-14(15)17)9-18-10(2)3/h7-8,10,12,18H,4-6,9H2,1-3H3
InChIKeyJADSGZWHENMYOC-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline (CID 63051956) is N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline is CCN(c1c(F)cc(CNC(C)C)cc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is JADSGZWHENMYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-4-19(12-5-6-12)15-13(16)7-11(8-14(15)17)9-18-10(2)3/h7-8,10,12,18H,4-6,9H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline?
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 268.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63051956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).