1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride

C13H21ClFNO — CID 170890525

IUPAC1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1ccc(F)cc1CC(N)CC.Cl
InChIInChI=1S/C13H20FNO.ClH/c1-3-7-16-13-6-5-11(14)8-10(13)9-12(15)4-2;/h5-6,8,12H,3-4,7,9,15H2,1-2H3;1H
InChIKeySMGICISFIWFRDP-UHFFFAOYSA-N
MW261.77 g/mol
LogP3.32
Rot. Bonds6

About 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride

1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170890525) has the molecular formula C13H21ClFNO and a molecular weight of 261.77 g/mol. Its IUPAC name is 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170890525
Molecular FormulaC13H21ClFNO
Molecular Weight261.77 g/mol
Exact Mass261.13
IUPAC Name1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1ccc(F)cc1CC(N)CC.Cl
InChIInChI=1S/C13H20FNO.ClH/c1-3-7-16-13-6-5-11(14)8-10(13)9-12(15)4-2;/h5-6,8,12H,3-4,7,9,15H2,1-2H3;1H
InChIKeySMGICISFIWFRDP-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
1-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 107701557
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
4-fluoro-2-(2-methylpent-3-ynyl)-1-propoxybenzene
CID 83944195
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride (CID 170890525) is 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride is CCCOc1ccc(F)cc1CC(N)CC.Cl.
What is the InChIKey of 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is SMGICISFIWFRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO.ClH/c1-3-7-16-13-6-5-11(14)8-10(13)9-12(15)4-2;/h5-6,8,12H,3-4,7,9,15H2,1-2H3;1H.
What are the key properties of 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride?
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 261.77 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).