N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine

C12H18FNO — CID 115705454

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(F)c1C(C)NC(C)C
InChIInChI=1S/C12H18FNO/c1-8(2)14-9(3)12-10(13)6-5-7-11(12)15-4/h5-9,14H,1-4H3
InChIKeyQLQGFLHHKSEZLR-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.89
Rot. Bonds4

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 115705454) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
PubChem CID115705454
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc(F)c1C(C)NC(C)C
InChIInChI=1S/C12H18FNO/c1-8(2)14-9(3)12-10(13)6-5-7-11(12)15-4/h5-9,14H,1-4H3
InChIKeyQLQGFLHHKSEZLR-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 112699983
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(oxan-4-yl)ethanamine
CID 103786239

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine (CID 115705454) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine is COc1cccc(F)c1C(C)NC(C)C.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is QLQGFLHHKSEZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(2)14-9(3)12-10(13)6-5-7-11(12)15-4/h5-9,14H,1-4H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115705454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).