N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine

C14H18FN — CID 103520522

IUPACN-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-4-6-14(5-2)16-11(3)12-7-9-13(15)10-8-12/h2,7-11,14,16H,4,6H2,1,3H3
InChIKeyUWDMPUHBFURKGW-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine

N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine (PubChem CID 103520522) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
PubChem CID103520522
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-4-6-14(5-2)16-11(3)12-7-9-13(15)10-8-12/h2,7-11,14,16H,4,6H2,1,3H3
InChIKeyUWDMPUHBFURKGW-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-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

N-[1-(4-chlorophenyl)ethyl]hex-1-yn-3-amine
CID 103520524
N-[1-(4-tert-butylphenyl)ethyl]hex-1-yn-3-amine
CID 106226028
4-[1-(hex-1-yn-3-ylamino)ethyl]-N,N-dimethylaniline
CID 114160896
N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
CID 103520520
N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
CID 106226041
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226821
N-[1-(4-fluorophenyl)ethyl]pent-4-yn-2-amine
CID 115664214
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hex-1-yn-3-amine
CID 106225860
1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
CID 113338838
N-[1-(3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226889
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine (CID 103520522) is N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine is C#CC(CCC)NC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine?
The InChIKey is UWDMPUHBFURKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-4-6-14(5-2)16-11(3)12-7-9-13(15)10-8-12/h2,7-11,14,16H,4,6H2,1,3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine?
N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine has a molecular weight of 219.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine is sourced from PubChem (CID 103520522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).