1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine

C11H13F2NO — CID 117303787

IUPAC1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(F)c(CC2(N)CC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c1-15-7-4-9(12)8(10(13)5-7)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyUWXZUYWEGXIEMQ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.01
Rot. Bonds3

About 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine

1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117303787) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117303787
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(F)c(CC2(N)CC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c1-15-7-4-9(12)8(10(13)5-7)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyUWXZUYWEGXIEMQ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4,6-trimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117346889
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105484561
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83910871
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
CID 53403518
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine (CID 117303787) is 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine is COc1cc(F)c(CC2(N)CC2)c(F)c1.
What is the InChIKey of 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is UWXZUYWEGXIEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-7-4-9(12)8(10(13)5-7)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine?
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117303787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).