1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine

C12H16FNO — CID 83688380

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C12H16FNO/c1-14-12(5-6-12)8-9-7-10(13)3-4-11(9)15-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyQIRRCSYWWGZIOR-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.13
Rot. Bonds4

About 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine

1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine (PubChem CID 83688380) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
PubChem CID83688380
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCNC1(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C12H16FNO/c1-14-12(5-6-12)8-9-7-10(13)3-4-11(9)15-2/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyQIRRCSYWWGZIOR-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
CID 83688912
(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-fluoro-2-methoxyphenyl)methanamine
CID 115244075
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine (CID 83688380) is 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine is CNC1(Cc2cc(F)ccc2OC)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
The InChIKey is QIRRCSYWWGZIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-12(5-6-12)8-9-7-10(13)3-4-11(9)15-2/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine?
1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 83688380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).