N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride

C11H17ClFNO — CID 44890739

IUPACN-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
SMILESCOCC(C)NCc1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyJSYIAEXWPJHPKR-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.37
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride

N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride (PubChem CID 44890739) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
PubChem CID44890739
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
SMILESCOCC(C)NCc1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10;/h3-6,9,13H,7-8H2,1-2H3;1H
InChIKeyJSYIAEXWPJHPKR-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 3126332
(2R)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781284
(2S)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781285
4-[(1-methoxypropan-2-ylamino)methyl]aniline
CID 82670046
1-chloro-N-[(4-fluorophenyl)methyl]-3-methoxypropan-2-amine
CID 106180782
4-chloro-N-[(4-fluorophenyl)methyl]butan-2-amine
CID 83187315
(2S)-N-[(2,6-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 777013
1-ethylsulfonyl-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 115626076
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
(3S)-3-[(4-fluorophenyl)methylamino]butanoic acid
CID 69228997
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride (CID 44890739) is N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride is COCC(C)NCc1ccc(F)cc1.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride?
The InChIKey is JSYIAEXWPJHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-9(8-14-2)13-7-10-3-5-11(12)6-4-10;/h3-6,9,13H,7-8H2,1-2H3;1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride?
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 44890739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).