2-(2-fluorophenyl)-N-propylpentan-3-amine

C14H22FN — CID 79308291

IUPAC2-(2-fluorophenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-10-16-14(5-2)11(3)12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyWQNFETYYCCRKJM-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.71
Rot. Bonds6

About 2-(2-fluorophenyl)-N-propylpentan-3-amine

2-(2-fluorophenyl)-N-propylpentan-3-amine (PubChem CID 79308291) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-propylpentan-3-amine
PubChem CID79308291
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name2-(2-fluorophenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-10-16-14(5-2)11(3)12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3
InChIKeyWQNFETYYCCRKJM-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63559977
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63561312
N-[1-[2-(2-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 55078796
N-propyl-2-quinolin-4-ylpentan-3-amine
CID 63560165
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
2-(2,3-difluorophenoxy)-N-propylpentan-3-amine
CID 63038153
1-(3-bromohexan-2-yl)-2-fluorobenzene
CID 83051782
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
2-(2-methylquinolin-4-yl)-N-propylpentan-3-amine
CID 63562253

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-propylpentan-3-amine?
The IUPAC name of 2-(2-fluorophenyl)-N-propylpentan-3-amine (CID 79308291) is 2-(2-fluorophenyl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(2-fluorophenyl)-N-propylpentan-3-amine is CCCNC(CC)C(C)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-propylpentan-3-amine?
The InChIKey is WQNFETYYCCRKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-10-16-14(5-2)11(3)12-8-6-7-9-13(12)15/h6-9,11,14,16H,4-5,10H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-N-propylpentan-3-amine?
2-(2-fluorophenyl)-N-propylpentan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-propylpentan-3-amine is sourced from PubChem (CID 79308291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).