N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine

C18H21FN2 — CID 79723425

IUPACN-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1ccc(Cc2ccc(F)c(CNC3CC3)c2)nc1
InChIInChI=1S/C18H21FN2/c1-2-13-3-5-17(20-11-13)10-14-4-8-18(19)15(9-14)12-21-16-6-7-16/h3-5,8-9,11,16,21H,2,6-7,10,12H2,1H3
InChIKeyWNFHXIFFAQWTKP-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.63
Rot. Bonds6

About N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine

N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine (PubChem CID 79723425) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
PubChem CID79723425
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine
SMILESCCc1ccc(Cc2ccc(F)c(CNC3CC3)c2)nc1
InChIInChI=1S/C18H21FN2/c1-2-13-3-5-17(20-11-13)10-14-4-8-18(19)15(9-14)12-21-16-6-7-16/h3-5,8-9,11,16,21H,2,6-7,10,12H2,1H3
InChIKeyWNFHXIFFAQWTKP-UHFFFAOYSA-N
XLogP3.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]phenyl]methyl]cyclopropanamine
CID 79723423
1-[3-[(5-ethyl-2-pyridinyl)methyl]-4-methylphenyl]-N-methylmethanamine
CID 105409110
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
CID 83129957
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
5-chloro-3-[(5-ethyl-2-pyridinyl)methyl]pyridin-2-amine
CID 79738374
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
CID 66158934
N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
CID 79740597
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454466
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine (CID 79723425) is N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine is CCc1ccc(Cc2ccc(F)c(CNC3CC3)c2)nc1.
What is the InChIKey of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is WNFHXIFFAQWTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-13-3-5-17(20-11-13)10-14-4-8-18(19)15(9-14)12-21-16-6-7-16/h3-5,8-9,11,16,21H,2,6-7,10,12H2,1H3.
What are the key properties of N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine?
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 284.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-ethyl-2-pyridinyl)methyl]-2-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 79723425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).