N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine

C14H18FN — CID 63999954

IUPACN-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(CC)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-5-13(16-14(3,4)6-2)11-7-9-12(15)10-8-11/h2,7-10,13,16H,5H2,1,3-4H3
InChIKeyDBPFTZMHYONJBW-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine

N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine (PubChem CID 63999954) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine
PubChem CID63999954
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(CC)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-5-13(16-14(3,4)6-2)11-7-9-12(15)10-8-11/h2,7-10,13,16H,5H2,1,3-4H3
InChIKeyDBPFTZMHYONJBW-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine
CID 63997272
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine (CID 63999954) is N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine is C#CC(C)(C)NC(CC)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine?
The InChIKey is DBPFTZMHYONJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-5-13(16-14(3,4)6-2)11-7-9-12(15)10-8-11/h2,7-10,13,16H,5H2,1,3-4H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine?
N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine has a molecular weight of 219.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63999954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).