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

C13H20FNO — CID 115704747

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
SMILESCOc1cccc(F)c1C(C)NCC(C)C
InChIInChI=1S/C13H20FNO/c1-9(2)8-15-10(3)13-11(14)6-5-7-12(13)16-4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyDPWAUXBCOHYMSW-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.14
Rot. Bonds5

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

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 115704747) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID115704747
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
SMILESCOc1cccc(F)c1C(C)NCC(C)C
InChIInChI=1S/C13H20FNO/c1-9(2)8-15-10(3)13-11(14)6-5-7-12(13)16-4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyDPWAUXBCOHYMSW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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]-3-methoxy-2-methylpropan-1-amine
CID 112700304
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]butanenitrile
CID 75443103
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine (CID 115704747) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine is COc1cccc(F)c1C(C)NCC(C)C.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is DPWAUXBCOHYMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)8-15-10(3)13-11(14)6-5-7-12(13)16-4/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.14, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 115704747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).