(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine

C15H22FNO2 — CID 107177787

IUPAC(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
SMILESCOc1cc(F)c(C(N)C2CCCC2C)cc1OC
InChIInChI=1S/C15H22FNO2/c1-9-5-4-6-10(9)15(17)11-7-13(18-2)14(19-3)8-12(11)16/h7-10,15H,4-6,17H2,1-3H3
InChIKeyIBROVEXVQXXERP-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.28
Rot. Bonds4

About (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine

(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine (PubChem CID 107177787) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
PubChem CID107177787
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
SMILESCOc1cc(F)c(C(N)C2CCCC2C)cc1OC
InChIInChI=1S/C15H22FNO2/c1-9-5-4-6-10(9)15(17)11-7-13(18-2)14(19-3)8-12(11)16/h7-10,15H,4-6,17H2,1-3H3
InChIKeyIBROVEXVQXXERP-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107178298
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107177000
(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331181
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
(2-fluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107188100
(4-methoxynaphthalen-1-yl)-(2-methylcyclopentyl)methanamine
CID 107177081
1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62865876
2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 62867617
(1R)-2,2,3,3,3-pentafluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-amine
CID 171312665

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine?
The IUPAC name of (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine (CID 107177787) is (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine?
The canonical SMILES for (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine is COc1cc(F)c(C(N)C2CCCC2C)cc1OC.
What is the InChIKey of (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine?
The InChIKey is IBROVEXVQXXERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-9-5-4-6-10(9)15(17)11-7-13(18-2)14(19-3)8-12(11)16/h7-10,15H,4-6,17H2,1-3H3.
What are the key properties of (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine?
(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine has a molecular weight of 267.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107177787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).