N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine

C16H25FN2 — CID 62985981

IUPACN-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C16H25FN2/c1-12(10-18-14-8-9-14)11-19(3)13(2)15-6-4-5-7-16(15)17/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyBGUUKMFJBVOWPD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.21
Rot. Bonds7

About N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine

N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 62985981) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID62985981
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C16H25FN2/c1-12(10-18-14-8-9-14)11-19(3)13(2)15-6-4-5-7-16(15)17/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyBGUUKMFJBVOWPD-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
CID 107886995
N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097
2-cyclopropyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985957
N-cyclopropyl-N',2-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62436306
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62980033
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine (CID 62985981) is N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine is CC(CNC1CC1)CN(C)C(C)c1ccccc1F.
What is the InChIKey of N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is BGUUKMFJBVOWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(10-18-14-8-9-14)11-19(3)13(2)15-6-4-5-7-16(15)17/h4-7,12-14,18H,8-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62985981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).