1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine

C13H18FNO — CID 104794707

IUPAC1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C13H18FNO/c1-15-9-13(6-7-13)8-10-4-3-5-11(16-2)12(10)14/h3-5,15H,6-9H2,1-2H3
InChIKeyXJRORNQWNZTTNR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds5

About 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine

1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine (PubChem CID 104794707) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
PubChem CID104794707
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C13H18FNO/c1-15-9-13(6-7-13)8-10-4-3-5-11(16-2)12(10)14/h3-5,15H,6-9H2,1-2H3
InChIKeyXJRORNQWNZTTNR-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104794738
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 104795426
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
1-[1-[(2-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024865
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534573
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 104795403

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine (CID 104794707) is 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine is CNCC1(Cc2cccc(OC)c2F)CC1.
What is the InChIKey of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
The InChIKey is XJRORNQWNZTTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-9-13(6-7-13)8-10-4-3-5-11(16-2)12(10)14/h3-5,15H,6-9H2,1-2H3.
What are the key properties of 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine?
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 104794707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).