cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine

C11H13F2NO — CID 130024487

IUPACcyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)C2CC2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-10-5-8(12)7(4-9(10)13)11(14)6-2-3-6/h4-6,11H,2-3,14H2,1H3
InChIKeyQLYZVTCTPWSNIY-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.38
Rot. Bonds3

About cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine

cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine (PubChem CID 130024487) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
PubChem CID130024487
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namecyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1cc(F)c(C(N)C2CC2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-10-5-8(12)7(4-9(10)13)11(14)6-2-3-6/h4-6,11H,2-3,14H2,1H3
InChIKeyQLYZVTCTPWSNIY-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935595
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
CID 171209919
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride
CID 146457373
(2-fluoro-4,5-dimethoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177787
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
1-[chloro(cyclopropyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62865876
(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331181
2-[(S)-amino(cyclohexyl)methyl]-4-fluoro-6-methoxyphenol;hydrochloride
CID 171256025
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine?
The IUPAC name of cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine (CID 130024487) is cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine is COc1cc(F)c(C(N)C2CC2)cc1F.
What is the InChIKey of cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine?
The InChIKey is QLYZVTCTPWSNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-10-5-8(12)7(4-9(10)13)11(14)6-2-3-6/h4-6,11H,2-3,14H2,1H3.
What are the key properties of cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine?
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine has a molecular weight of 213.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 130024487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).