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

C14H20FNO — CID 112568297

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
SMILESCOc1cccc(F)c1C(C)NC1CC1(C)C
InChIInChI=1S/C14H20FNO/c1-9(16-12-8-14(12,2)3)13-10(15)6-5-7-11(13)17-4/h5-7,9,12,16H,8H2,1-4H3
InChIKeyFVBUIOJARCWFTG-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.28
Rot. Bonds4

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

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 112568297) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID112568297
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine
SMILESCOc1cccc(F)c1C(C)NC1CC1(C)C
InChIInChI=1S/C14H20FNO/c1-9(16-12-8-14(12,2)3)13-10(15)6-5-7-11(13)17-4/h5-7,9,12,16H,8H2,1-4H3
InChIKeyFVBUIOJARCWFTG-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977664
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082815
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103926269
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115724414
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
1-(2-fluoro-6-methoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 103903366
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
2-[1-[[1-(2-fluoro-6-methoxyphenyl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750572

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine (CID 112568297) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine is COc1cccc(F)c1C(C)NC1CC1(C)C.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is FVBUIOJARCWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(16-12-8-14(12,2)3)13-10(15)6-5-7-11(13)17-4/h5-7,9,12,16H,8H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.28, 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]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 112568297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).