N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine

C17H25FN2 — CID 64521860

IUPACN'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN(CC1CC1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2/c1-19-17(14-4-6-15(18)7-5-14)10-11-20(16-8-9-16)12-13-2-3-13/h4-7,13,16-17,19H,2-3,8-12H2,1H3
InChIKeyHKDBPLCJZPIJSX-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds8

About N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine

N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine (PubChem CID 64521860) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
PubChem CID64521860
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN(CC1CC1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2/c1-19-17(14-4-6-15(18)7-5-14)10-11-20(16-8-9-16)12-13-2-3-13/h4-7,13,16-17,19H,2-3,8-12H2,1H3
InChIKeyHKDBPLCJZPIJSX-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521664
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713049
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62644190
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylpropane-1,3-diamine
CID 82776656
N'-butyl-N'-cyclopropyl-N-methyl-1-phenylpropane-1,3-diamine
CID 62612456
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82744250
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine (CID 64521860) is N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine is CNC(CCN(CC1CC1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine?
The InChIKey is HKDBPLCJZPIJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-19-17(14-4-6-15(18)7-5-14)10-11-20(16-8-9-16)12-13-2-3-13/h4-7,13,16-17,19H,2-3,8-12H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine?
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 64521860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).