N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline

C16H24F2N2 — CID 63052624

IUPACN-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1cc(F)c(N(C)C(C)C2CC2)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-10(2)19-9-12-7-14(17)16(15(18)8-12)20(4)11(3)13-5-6-13/h7-8,10-11,13,19H,5-6,9H2,1-4H3
InChIKeyGNTYKHILDWDXJI-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.70
Rot. Bonds6

About N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline

N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline (PubChem CID 63052624) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
PubChem CID63052624
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1cc(F)c(N(C)C(C)C2CC2)c(F)c1
InChIInChI=1S/C16H24F2N2/c1-10(2)19-9-12-7-14(17)16(15(18)8-12)20(4)11(3)13-5-6-13/h7-8,10-11,13,19H,5-6,9H2,1-4H3
InChIKeyGNTYKHILDWDXJI-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.70
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-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline (CID 63052624) is N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1cc(F)c(N(C)C(C)C2CC2)c(F)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
The InChIKey is GNTYKHILDWDXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-10(2)19-9-12-7-14(17)16(15(18)8-12)20(4)11(3)13-5-6-13/h7-8,10-11,13,19H,5-6,9H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline?
N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline has a molecular weight of 282.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,6-difluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63052624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).