N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline

C15H22F2N2 — CID 55146589

IUPACN-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)c(N(CC)C2CC2)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-3-7-18-10-11-8-13(16)15(14(17)9-11)19(4-2)12-5-6-12/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyKIQRCDBKZCEWBX-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.45
Rot. Bonds7

About N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline

N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline (PubChem CID 55146589) 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-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
PubChem CID55146589
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)c(N(CC)C2CC2)c(F)c1
InChIInChI=1S/C15H22F2N2/c1-3-7-18-10-11-8-13(16)15(14(17)9-11)19(4-2)12-5-6-12/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyKIQRCDBKZCEWBX-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63051956
N-cyclopentyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63551153
N-cyclopropyl-N-ethyl-5-(propylaminomethyl)pyridin-2-amine
CID 62279551
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 63078093
4-(chloromethyl)-N-cyclohexyl-N-ethyl-2,6-difluoroaniline
CID 63540811
1-[2,6-difluoro-4-(propylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114679353
N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 113388041
[1-[2,6-difluoro-4-(propylaminomethyl)phenyl]piperidin-4-yl]methanol
CID 63052099
2,6-difluoro-N-methyl-N-(2-methylsulfanylethyl)-4-(propylaminomethyl)aniline
CID 112662211
N-[(4-cyclohexylsulfanyl-3,5-difluorophenyl)methyl]propan-1-amine
CID 63807884

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline?
The IUPAC name of N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline (CID 55146589) is N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline?
The canonical SMILES for N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline is CCCNCc1cc(F)c(N(CC)C2CC2)c(F)c1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline?
The InChIKey is KIQRCDBKZCEWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-7-18-10-11-8-13(16)15(14(17)9-11)19(4-2)12-5-6-12/h8-9,12,18H,3-7,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline?
N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline has a molecular weight of 268.35 g/mol, XLogP of 3.45, 7 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-(propylaminomethyl)aniline is sourced from PubChem (CID 55146589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).