1-(4-fluorophenyl)pentan-1-amine;hydrochloride

C11H17ClFN — CID 86262916

IUPAC1-(4-fluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FN.ClH/c1-2-3-4-11(13)9-5-7-10(12)8-6-9;/h5-8,11H,2-4,13H2,1H3;1H
InChIKeyBFKOTTQYGUGVDY-UHFFFAOYSA-N
MW217.72 g/mol
LogP3.44
Rot. Bonds4

About 1-(4-fluorophenyl)pentan-1-amine;hydrochloride

1-(4-fluorophenyl)pentan-1-amine;hydrochloride (PubChem CID 86262916) has the molecular formula C11H17ClFN and a molecular weight of 217.72 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)pentan-1-amine;hydrochloride
PubChem CID86262916
Molecular FormulaC11H17ClFN
Molecular Weight217.72 g/mol
Exact Mass217.10
IUPAC Name1-(4-fluorophenyl)pentan-1-amine;hydrochloride
SMILESCCCCC(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FN.ClH/c1-2-3-4-11(13)9-5-7-10(12)8-6-9;/h5-8,11H,2-4,13H2,1H3;1H
InChIKeyBFKOTTQYGUGVDY-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-decylsulfanyl-1-(4-fluorophenyl)butan-1-amine;hydrochloride
CID 19996202
1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
CID 86262911
1-(4-fluorophenyl)-N'-hexadecylpropane-1,3-diamine;dihydrochloride
CID 19996168
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114
N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
N'-(4-butylphenyl)-1-(4-fluorophenyl)propane-1,3-diamine;dihydrochloride
CID 19996189
1-(4-fluorophenyl)pentane-1,4-diamine
CID 116934284

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pentan-1-amine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)pentan-1-amine;hydrochloride (CID 86262916) is 1-(4-fluorophenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)pentan-1-amine;hydrochloride is CCCCC(N)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)pentan-1-amine;hydrochloride?
The InChIKey is BFKOTTQYGUGVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN.ClH/c1-2-3-4-11(13)9-5-7-10(12)8-6-9;/h5-8,11H,2-4,13H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)pentan-1-amine;hydrochloride?
1-(4-fluorophenyl)pentan-1-amine;hydrochloride has a molecular weight of 217.72 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 86262916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).