3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine

C13H14FN — CID 43632505

IUPAC3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C13H14FN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h1,3-5,7,11,13,15H,6,8-9H2
InChIKeyHXBNGWLBYQKAPX-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.29
Rot. Bonds3

About 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine

3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine (PubChem CID 43632505) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
PubChem CID43632505
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
SMILESC#CCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C13H14FN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h1,3-5,7,11,13,15H,6,8-9H2
InChIKeyHXBNGWLBYQKAPX-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine 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

3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116643185
3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine
CID 60895802
3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
CID 61018189
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 82733626
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 80682298
3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 103478342

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine (CID 43632505) is 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine is C#CCNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
The InChIKey is HXBNGWLBYQKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN/c1-2-6-15-13-8-11(9-13)10-4-3-5-12(14)7-10/h1,3-5,7,11,13,15H,6,8-9H2.
What are the key properties of 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine?
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine has a molecular weight of 203.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine is sourced from PubChem (CID 43632505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).