3-[1-(3-fluorophenyl)propylamino]pentan-1-ol

C14H22FNO — CID 114871859

IUPAC3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
SMILESCCC(CCO)NC(CC)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-13(8-9-17)16-14(4-2)11-6-5-7-12(15)10-11/h5-7,10,13-14,16-17H,3-4,8-9H2,1-2H3
InChIKeyQNGMDMXGAGAOMO-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.03
Rot. Bonds7

About 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol

3-[1-(3-fluorophenyl)propylamino]pentan-1-ol (PubChem CID 114871859) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
PubChem CID114871859
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-[1-(3-fluorophenyl)propylamino]pentan-1-ol
SMILESCCC(CCO)NC(CC)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-13(8-9-17)16-14(4-2)11-6-5-7-12(15)10-11/h5-7,10,13-14,16-17H,3-4,8-9H2,1-2H3
InChIKeyQNGMDMXGAGAOMO-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-[[2-amino-1-(3,4-dibromophenyl)ethyl]amino]pentan-1-ol
CID 114077381
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
CID 114871074
N-[1-(3-fluorophenyl)propyl]but-2-yn-1-amine
CID 114871834
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol?
The IUPAC name of 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol (CID 114871859) is 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol.
What is the SMILES notation for 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol?
The canonical SMILES for 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol is CCC(CCO)NC(CC)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol?
The InChIKey is QNGMDMXGAGAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-13(8-9-17)16-14(4-2)11-6-5-7-12(15)10-11/h5-7,10,13-14,16-17H,3-4,8-9H2,1-2H3.
What are the key properties of 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol?
3-[1-(3-fluorophenyl)propylamino]pentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)propylamino]pentan-1-ol is sourced from PubChem (CID 114871859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).