N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine

C14H20FNO — CID 82811953

IUPACN-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1F)C1(C)CC1
InChIInChI=1S/C14H20FNO/c1-4-16-13(14(2)8-9-14)10-6-5-7-11(17-3)12(10)15/h5-7,13,16H,4,8-9H2,1-3H3
InChIKeyWWOYPUREAKBIHC-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.29
Rot. Bonds5

About N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine

N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine (PubChem CID 82811953) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
PubChem CID82811953
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1F)C1(C)CC1
InChIInChI=1S/C14H20FNO/c1-4-16-13(14(2)8-9-14)10-6-5-7-11(17-3)12(10)15/h5-7,13,16H,4,8-9H2,1-3H3
InChIKeyWWOYPUREAKBIHC-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 82808028
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(3,5-dibromophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 107976931
N-ethyl-2-ethylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807322
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321
N-[(2-fluoro-3-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 82791784
N-[[2-(2-methoxyethoxy)phenyl]-(1-methylcyclopentyl)methyl]ethanamine
CID 105035384

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine (CID 82811953) is N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine is CCNC(c1cccc(OC)c1F)C1(C)CC1.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine?
The InChIKey is WWOYPUREAKBIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-16-13(14(2)8-9-14)10-6-5-7-11(17-3)12(10)15/h5-7,13,16H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine?
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 82811953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).