4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline

C15H22F2N2 — CID 63938764

IUPAC4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCN(CC1CC1)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C15H22F2N2/c1-3-19(9-11-4-5-11)15-13(16)7-12(6-10(2)18)8-14(15)17/h7-8,10-11H,3-6,9,18H2,1-2H3
InChIKeyVVNHNVOMKUPLPY-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.09
Rot. Bonds6

About 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline

4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline (PubChem CID 63938764) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
PubChem CID63938764
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCN(CC1CC1)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C15H22F2N2/c1-3-19(9-11-4-5-11)15-13(16)7-12(6-10(2)18)8-14(15)17/h7-8,10-11H,3-6,9,18H2,1-2H3
InChIKeyVVNHNVOMKUPLPY-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
CID 63954399
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(2,2,2-trifluoroethyl)aniline
CID 63795420
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
4-(2-aminopropyl)-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline
CID 55235260
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63956847
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
4-(2-aminopropyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoroaniline
CID 64521103
1-[3-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894075

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline (CID 63938764) is 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline is CCN(CC1CC1)c1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline?
The InChIKey is VVNHNVOMKUPLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-19(9-11-4-5-11)15-13(16)7-12(6-10(2)18)8-14(15)17/h7-8,10-11H,3-6,9,18H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline?
4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline has a molecular weight of 268.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(cyclopropylmethyl)-N-ethyl-2,6-difluoroaniline is sourced from PubChem (CID 63938764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).