N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline

C15H20F2N2 — CID 63051957

IUPACN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
SMILESCCN(c1c(F)cc(CNC2CC2)cc1F)C1CC1
InChIInChI=1S/C15H20F2N2/c1-2-19(12-5-6-12)15-13(16)7-10(8-14(15)17)9-18-11-3-4-11/h7-8,11-12,18H,2-6,9H2,1H3
InChIKeyYVHGLGVJDLTJIO-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.21
Rot. Bonds6

About N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline

N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline (PubChem CID 63051957) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline.

Molecular Properties

Compound NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
PubChem CID63051957
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC NameN-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
SMILESCCN(c1c(F)cc(CNC2CC2)cc1F)C1CC1
InChIInChI=1S/C15H20F2N2/c1-2-19(12-5-6-12)15-13(16)7-10(8-14(15)17)9-18-11-3-4-11/h7-8,11-12,18H,2-6,9H2,1H3
InChIKeyYVHGLGVJDLTJIO-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.21
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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Related Compounds

4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
N-cyclopropyl-N-ethyl-2,6-difluoro-4-(propylaminomethyl)aniline
CID 55146589
N-cyclopropyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63051956
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
N-cyclopentyl-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 63551153
4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63051095
N-cyclopropyl-3-[(cyclopropylamino)methyl]-5-fluoro-N-propylaniline
CID 106532212
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625
1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol
CID 79390187
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
[4-[cyclohexyl(ethyl)amino]-3,5-difluorophenyl]methanol
CID 63078093
4-(chloromethyl)-N-cyclohexyl-N-ethyl-2,6-difluoroaniline
CID 63540811

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline?
The IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline (CID 63051957) is N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline.
What is the SMILES notation for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline?
The canonical SMILES for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline is CCN(c1c(F)cc(CNC2CC2)cc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline?
The InChIKey is YVHGLGVJDLTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-2-19(12-5-6-12)15-13(16)7-10(8-14(15)17)9-18-11-3-4-11/h7-8,11-12,18H,2-6,9H2,1H3.
What are the key properties of N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline?
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline has a molecular weight of 266.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline is sourced from PubChem (CID 63051957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).