N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine

C13H20FNO — CID 115704684

IUPACN-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-9(11(3)16-4)15-10(2)12-6-5-7-13(14)8-12/h5-11,15H,1-4H3
InChIKeyFKLXQMQOLFATLJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine

N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115704684) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine
PubChem CID115704684
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-9(11(3)16-4)15-10(2)12-6-5-7-13(14)8-12/h5-11,15H,1-4H3
InChIKeyFKLXQMQOLFATLJ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
methyl 3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylbutanoate
CID 81365512
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
1-(3-fluorophenyl)-2-methoxypropan-1-amine
CID 79616556
N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047182
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
CID 115708475
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine (CID 115704684) is N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)NC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is FKLXQMQOLFATLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(11(3)16-4)15-10(2)12-6-5-7-13(14)8-12/h5-11,15H,1-4H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine?
N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115704684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).