N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine

C14H20FN — CID 103734794

IUPACN-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCC1(CNC(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN/c1-3-14(8-9-14)10-16-11(2)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyWCADMLJERHYHET-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.67
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine

N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 103734794) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID103734794
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESCCC1(CNC(C)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FN/c1-3-14(8-9-14)10-16-11(2)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyWCADMLJERHYHET-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[[1-(4-fluorophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343132
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
CID 103903124
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 103903089
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 114107390
1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61210973
4-[1-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]phenol
CID 115454338
1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111833784
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 103734794) is N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine is CCC1(CNC(C)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is WCADMLJERHYHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-14(8-9-14)10-16-11(2)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine?
N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 103734794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).