N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine

C13H20FNO — CID 115683511

IUPACN-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO/c1-9-7-12(5-6-13(9)14)11(3)15-10(2)8-16-4/h5-7,10-11,15H,8H2,1-4H3
InChIKeyALKLTACSXUDMCC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.82
Rot. Bonds5

About N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine

N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 115683511) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID115683511
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO/c1-9-7-12(5-6-13(9)14)11(3)15-10(2)8-16-4/h5-7,10-11,15H,8H2,1-4H3
InChIKeyALKLTACSXUDMCC-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191865
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
1-methoxy-N-[1-(4-methyl-3-nitrophenyl)ethyl]propan-2-amine
CID 43200931
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
N-[1-(2,4-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191889
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
1-cyclopropyl-N-[1-(4-fluoro-3-methylphenyl)ethyl]ethanamine;hydrochloride
CID 115683937
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine (CID 115683511) is N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1ccc(F)c(C)c1.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is ALKLTACSXUDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9-7-12(5-6-13(9)14)11(3)15-10(2)8-16-4/h5-7,10-11,15H,8H2,1-4H3.
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 115683511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).