[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine

C15H22FNO2 — CID 117421894

IUPAC[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine
SMILESCOc1cc(C(C)(C)F)c(C2(CN)CC2)cc1OC
InChIInChI=1S/C15H22FNO2/c1-14(2,16)10-7-12(18-3)13(19-4)8-11(10)15(9-17)5-6-15/h7-8H,5-6,9,17H2,1-4H3
InChIKeyAQTCZXOSFMDEQW-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.90
Rot. Bonds5

About [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine

[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine (PubChem CID 117421894) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine
PubChem CID117421894
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine
SMILESCOc1cc(C(C)(C)F)c(C2(CN)CC2)cc1OC
InChIInChI=1S/C15H22FNO2/c1-14(2,16)10-7-12(18-3)13(19-4)8-11(10)15(9-17)5-6-15/h7-8H,5-6,9,17H2,1-4H3
InChIKeyAQTCZXOSFMDEQW-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421898
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
[1-(5-tert-butyl-4-methoxy-2-methylphenyl)cyclopropyl]methanamine
CID 82296042
2-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117484005
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine
CID 117492418
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine (CID 117421894) is [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine is COc1cc(C(C)(C)F)c(C2(CN)CC2)cc1OC.
What is the InChIKey of [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine?
The InChIKey is AQTCZXOSFMDEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-14(2,16)10-7-12(18-3)13(19-4)8-11(10)15(9-17)5-6-15/h7-8H,5-6,9,17H2,1-4H3.
What are the key properties of [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine?
[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine has a molecular weight of 267.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117421894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).