N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine

C15H23FN2 — CID 55099247

IUPACN'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1F)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-18(12-8-9-12)11-10-15(17-2)13-6-4-5-7-14(13)16/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyFXCFDHGNBYKINO-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.96
Rot. Bonds7

About N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine

N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine (PubChem CID 55099247) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
PubChem CID55099247
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1F)C1CC1
InChIInChI=1S/C15H23FN2/c1-3-18(12-8-9-12)11-10-15(17-2)13-6-4-5-7-14(13)16/h4-7,12,15,17H,3,8-11H2,1-2H3
InChIKeyFXCFDHGNBYKINO-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
1-[[3-(2-fluorophenyl)-3-(methylamino)propyl]-methylamino]propan-2-ol
CID 62645074
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62644533
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine (CID 55099247) is N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine is CCN(CCC(NC)c1ccccc1F)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine?
The InChIKey is FXCFDHGNBYKINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18(12-8-9-12)11-10-15(17-2)13-6-4-5-7-14(13)16/h4-7,12,15,17H,3,8-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine?
N'-cyclopropyl-N'-ethyl-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.96, 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-1-(2-fluorophenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 55099247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).