N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine

C14H17FN2 — CID 54968871

IUPACN-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1ccc(F)cc1C#CCN)C1CC1
InChIInChI=1S/C14H17FN2/c1-17(14-6-7-14)10-12-4-5-13(15)9-11(12)3-2-8-16/h4-5,9,14H,6-8,10,16H2,1H3
InChIKeyCYSSEMBTGVCSEE-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.73
Rot. Bonds3

About N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine

N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine (PubChem CID 54968871) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
PubChem CID54968871
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC NameN-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1ccc(F)cc1C#CCN)C1CC1
InChIInChI=1S/C14H17FN2/c1-17(14-6-7-14)10-12-4-5-13(15)9-11(12)3-2-8-16/h4-5,9,14H,6-8,10,16H2,1H3
InChIKeyCYSSEMBTGVCSEE-UHFFFAOYSA-N
XLogP1.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine
CID 63865908
N-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine
CID 54968872
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
3-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl-ethylamino]propanenitrile
CID 54988651
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768605
1-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-3-methylpyrrolidin-3-ol
CID 103357972
3-[2-(cyclopentylmethylsulfanylmethyl)-5-fluorophenyl]prop-2-yn-1-amine
CID 63120077
2-[[cyclopropyl(methyl)amino]methyl]-5-fluorobenzenecarbothioamide
CID 63292626
N-[[3-(3-aminoprop-1-ynyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 79697063
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-4,6-difluoro-N-methylbenzenesulfonamide
CID 60845017

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine (CID 54968871) is N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine is CN(Cc1ccc(F)cc1C#CCN)C1CC1.
What is the InChIKey of N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine?
The InChIKey is CYSSEMBTGVCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-17(14-6-7-14)10-12-4-5-13(15)9-11(12)3-2-8-16/h4-5,9,14H,6-8,10,16H2,1H3.
What are the key properties of N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine?
N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine has a molecular weight of 232.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 54968871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).