N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine

C12H18FNO — CID 107168983

IUPACN-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
SMILESCCNC(C)COc1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-4-14-10(3)8-15-11-6-5-9(2)12(13)7-11/h5-7,10,14H,4,8H2,1-3H3
InChIKeyDMBUXACGENMSAR-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine

N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine (PubChem CID 107168983) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
PubChem CID107168983
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
SMILESCCNC(C)COc1ccc(C)c(F)c1
InChIInChI=1S/C12H18FNO/c1-4-14-10(3)8-15-11-6-5-9(2)12(13)7-11/h5-7,10,14H,4,8H2,1-3H3
InChIKeyDMBUXACGENMSAR-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170360
N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 107168988
methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
CID 107170379
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
4-(2-bromo-3,3,3-trifluoropropoxy)-2-fluoro-1-methylbenzene
CID 107169098
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine (CID 107168983) is N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine is CCNC(C)COc1ccc(C)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine?
The InChIKey is DMBUXACGENMSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-14-10(3)8-15-11-6-5-9(2)12(13)7-11/h5-7,10,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine?
N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 107168983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).