N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine

C14H20FN — CID 114834482

IUPACN-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-3-16-10-12-9-14(12,2)8-11-5-4-6-13(15)7-11/h4-7,12,16H,3,8-10H2,1-2H3
InChIKeyNTJIJTZHMOFZOA-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.00
Rot. Bonds5

About N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine

N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine (PubChem CID 114834482) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine
PubChem CID114834482
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H20FN/c1-3-16-10-12-9-14(12,2)8-11-5-4-6-13(15)7-11/h4-7,12,16H,3,8-10H2,1-2H3
InChIKeyNTJIJTZHMOFZOA-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
CID 114834972
N-[[2-[(3-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81022700
N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222650
N-[[1-[(3-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026247
N-[[3-[(3-fluorophenyl)methyl]-1,1-dioxothiolan-3-yl]methyl]ethanamine
CID 55209221
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
1-fluoro-3-[(1-fluorocyclopropyl)methyl]benzene
CID 84717270
4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114834622
4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
CID 114834372
ethyl 4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 114834625

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine (CID 114834482) is N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine is CCNCC1CC1(C)Cc1cccc(F)c1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine?
The InChIKey is NTJIJTZHMOFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-16-10-12-9-14(12,2)8-11-5-4-6-13(15)7-11/h4-7,12,16H,3,8-10H2,1-2H3.
What are the key properties of N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine?
N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine is sourced from PubChem (CID 114834482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).