N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine

C18H29FN2 — CID 63494627

IUPACN-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESCCN(CC(CC)(CC)CNC1CC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-4-18(5-2,13-20-15-11-12-15)14-21(6-3)17-10-8-7-9-16(17)19/h7-10,15,20H,4-6,11-14H2,1-3H3
InChIKeyGDLHGUDDNBVHPO-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.21
Rot. Bonds9

About N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine

N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine (PubChem CID 63494627) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine
PubChem CID63494627
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine
SMILESCCN(CC(CC)(CC)CNC1CC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-4-18(5-2,13-20-15-11-12-15)14-21(6-3)17-10-8-7-9-16(17)19/h7-10,15,20H,4-6,11-14H2,1-3H3
InChIKeyGDLHGUDDNBVHPO-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2,2-diethyl-N'-(2-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62259922
2-[(N-ethyl-2-fluoroanilino)methyl]-2-methylbutanal
CID 62277954
N'-cyclopropyl-2,2-diethyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63495326
2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
CID 63030292
N-cyclopropyl-2,2-diethyl-N'-(4-ethylphenyl)-N'-methylpropane-1,3-diamine
CID 63494824
N-cyclohexyl-N'-cyclopropyl-2,2-diethyl-N-methylpropane-1,3-diamine
CID 62263046
N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
CID 55225955
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 106271457
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494489
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486939
N-cyclopropyl-N'-(3,5-dimethylphenyl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 63494831
N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509675

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine (CID 63494627) is N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine is CCN(CC(CC)(CC)CNC1CC1)c1ccccc1F.
What is the InChIKey of N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
The InChIKey is GDLHGUDDNBVHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-18(5-2,13-20-15-11-12-15)14-21(6-3)17-10-8-7-9-16(17)19/h7-10,15,20H,4-6,11-14H2,1-3H3.
What are the key properties of N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine?
N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2,2-triethyl-N'-(2-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 63494627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).