N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine

C14H20FNO — CID 43561496

IUPACN-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)C1CC1C
InChIInChI=1S/C14H20FNO/c1-4-16-14(12-7-9(12)2)11-6-5-10(17-3)8-13(11)15/h5-6,8-9,12,14,16H,4,7H2,1-3H3
InChIKeyWSINQUJNCLIGKZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 43561496) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID43561496
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)C1CC1C
InChIInChI=1S/C14H20FNO/c1-4-16-14(12-7-9(12)2)11-6-5-10(17-3)8-13(11)15/h5-6,8-9,12,14,16H,4,7H2,1-3H3
InChIKeyWSINQUJNCLIGKZ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 54880573
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395932
N-[(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395777
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
N-[(2-methylcyclopropyl)-(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 43490270
N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 105395094

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine (CID 43561496) is N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1F)C1CC1C.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is WSINQUJNCLIGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-16-14(12-7-9(12)2)11-6-5-10(17-3)8-13(11)15/h5-6,8-9,12,14,16H,4,7H2,1-3H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 237.32 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-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 43561496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).