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

C14H18FN — CID 114830878

IUPACN-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)Cc1ccccc1F
InChIInChI=1S/C14H18FN/c1-3-4-7-10-16-12(2)11-13-8-5-6-9-14(13)15/h5-6,8-9,12,16H,7,10-11H2,1-2H3
InChIKeyWOURQJJFSRYDLN-UHFFFAOYSA-N
MW219.30 g/mol
LogP2.76
Rot. Bonds5

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

N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine (PubChem CID 114830878) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
PubChem CID114830878
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC NameN-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
SMILESCC#CCCNC(C)Cc1ccccc1F
InChIInChI=1S/C14H18FN/c1-3-4-7-10-16-12(2)11-13-8-5-6-9-14(13)15/h5-6,8-9,12,16H,7,10-11H2,1-2H3
InChIKeyWOURQJJFSRYDLN-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
N-[1-(4-chlorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 104928140
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
CID 114829509
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
N-ethyl-1-(2-fluorophenyl)hex-4-yn-2-amine
CID 62310597
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine (CID 114830878) is N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine is CC#CCCNC(C)Cc1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine?
The InChIKey is WOURQJJFSRYDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-3-4-7-10-16-12(2)11-13-8-5-6-9-14(13)15/h5-6,8-9,12,16H,7,10-11H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine?
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine has a molecular weight of 219.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine is sourced from PubChem (CID 114830878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).