N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine

C12H18FNO — CID 110174086

IUPACN-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCF
InChIInChI=1S/C12H18FNO/c1-10(14-8-7-13)9-11-5-3-4-6-12(11)15-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyCLWCAQWOHBDXOO-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.19
Rot. Bonds6

About N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine

N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 110174086) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
PubChem CID110174086
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCCF
InChIInChI=1S/C12H18FNO/c1-10(14-8-7-13)9-11-5-3-4-6-12(11)15-2/h3-6,10,14H,7-9H2,1-2H3
InChIKeyCLWCAQWOHBDXOO-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
CID 103905511
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 63828165
1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43768273
1-(2-methoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 63830235
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
tert-butyl N-[3-[1-(2-methoxyphenyl)propan-2-ylamino]propyl]carbamate
CID 103781077

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine (CID 110174086) is N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is CLWCAQWOHBDXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10(14-8-7-13)9-11-5-3-4-6-12(11)15-2/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine?
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 110174086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).