2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride

C16H25ClFNO — CID 45259917

IUPAC2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1cc(F)ccc1OC.Cl
InChIInChI=1S/C16H24FNO.ClH/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3;/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3;1H
InChIKeyYKPQGGAZZZYERD-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.23
Rot. Bonds7

About 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride

2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride (PubChem CID 45259917) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
PubChem CID45259917
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
SMILESCCCN(CCC)C1CC1c1cc(F)ccc1OC.Cl
InChIInChI=1S/C16H24FNO.ClH/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3;/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3;1H
InChIKeyYKPQGGAZZZYERD-UHFFFAOYSA-N
XLogP4.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dipropylamino)cyclopropyl]-4-fluorophenol;hydrochloride
CID 45264176
2-[(1R,2S)-2-(dipropylamino)cyclopropyl]-4-fluorophenol
CID 10777150
N-[[2-(5-fluoro-2-methoxyphenyl)cyclobutyl]methyl]propan-1-amine
CID 82782284
N-[[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 82772303
1-[2-(5-fluoro-2-methoxyphenyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 82782631
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
2-(5-fluoro-2-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82782828
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 175530284
(1R,2R)-5-fluoro-6-methoxy-1-phenyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 11394804
2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 82782977

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride (CID 45259917) is 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride is CCCN(CCC)C1CC1c1cc(F)ccc1OC.Cl.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
The InChIKey is YKPQGGAZZZYERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO.ClH/c1-4-8-18(9-5-2)15-11-13(15)14-10-12(17)6-7-16(14)19-3;/h6-7,10,13,15H,4-5,8-9,11H2,1-3H3;1H.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride?
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride has a molecular weight of 301.83 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 45259917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).