N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine

C15H20FN — CID 113262082

IUPACN-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H20FN/c1-4-7-15(5-2)17-12(3)10-13-8-6-9-14(16)11-13/h1,6,8-9,11-12,15,17H,5,7,10H2,2-3H3
InChIKeyBRMKXPJILZOMLI-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.15
Rot. Bonds6

About N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine

N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine (PubChem CID 113262082) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
PubChem CID113262082
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H20FN/c1-4-7-15(5-2)17-12(3)10-13-8-6-9-14(16)11-13/h1,6,8-9,11-12,15,17H,5,7,10H2,2-3H3
InChIKeyBRMKXPJILZOMLI-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.15
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-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
N-[1-(3-fluorophenyl)propan-2-yl]hex-1-yn-3-amine
CID 106227001
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-N,1-N-diethyl-2-N-[1-(3-fluorophenyl)propan-2-yl]propane-1,2-diamine
CID 115716941
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 55142071
4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
CID 113262395

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine (CID 113262082) is N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine is C#CCC(CC)NC(C)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine?
The InChIKey is BRMKXPJILZOMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-4-7-15(5-2)17-12(3)10-13-8-6-9-14(16)11-13/h1,6,8-9,11-12,15,17H,5,7,10H2,2-3H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine?
N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine has a molecular weight of 233.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine is sourced from PubChem (CID 113262082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).