[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine

C14H20FNO2 — CID 117386387

IUPAC[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine
SMILESCOc1cc(F)cc(C2(CN)CC2)c1OC(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)18-13-11(14(8-16)4-5-14)6-10(15)7-12(13)17-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyZBTCJJJXDOZBJH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.61
Rot. Bonds5

About [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine

[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine (PubChem CID 117386387) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine
PubChem CID117386387
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine
SMILESCOc1cc(F)cc(C2(CN)CC2)c1OC(C)C
InChIInChI=1S/C14H20FNO2/c1-9(2)18-13-11(14(8-16)4-5-14)6-10(15)7-12(13)17-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyZBTCJJJXDOZBJH-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 117424249
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040
[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine (CID 117386387) is [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine is COc1cc(F)cc(C2(CN)CC2)c1OC(C)C.
What is the InChIKey of [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine?
The InChIKey is ZBTCJJJXDOZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(2)18-13-11(14(8-16)4-5-14)6-10(15)7-12(13)17-3/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine?
[1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine has a molecular weight of 253.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-3-methoxy-2-propan-2-yloxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117386387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).