[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine

C17H26FNO2 — CID 117476110

IUPAC[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
SMILESCOc1cc(C(C)(C)F)cc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C17H26FNO2/c1-16(2,18)12-9-13(15(21-4)14(10-12)20-3)17(11-19)7-5-6-8-17/h9-10H,5-8,11,19H2,1-4H3
InChIKeyFGZFVIFGOWVLOD-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.68
Rot. Bonds5

About [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine

[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine (PubChem CID 117476110) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
PubChem CID117476110
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
SMILESCOc1cc(C(C)(C)F)cc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C17H26FNO2/c1-16(2,18)12-9-13(15(21-4)14(10-12)20-3)17(11-19)7-5-6-8-17/h9-10H,5-8,11,19H2,1-4H3
InChIKeyFGZFVIFGOWVLOD-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dimethoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117377027
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
2-[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117477593
[1-(5-tert-butyl-2-methoxyphenyl)cyclohexyl]methanamine
CID 98033979
[1-[2-methoxy-5-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401404
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421894
[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117488347
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
[1-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421898
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine (CID 117476110) is [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine is COc1cc(C(C)(C)F)cc(C2(CN)CCCC2)c1OC.
What is the InChIKey of [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine?
The InChIKey is FGZFVIFGOWVLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-16(2,18)12-9-13(15(21-4)14(10-12)20-3)17(11-19)7-5-6-8-17/h9-10H,5-8,11,19H2,1-4H3.
What are the key properties of [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine?
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine has a molecular weight of 295.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine is sourced from PubChem (CID 117476110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).