2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine

C10H13F2NO — CID 117290019

IUPAC2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(F)ccc(F)c1C(C)CN
InChIInChI=1S/C10H13F2NO/c1-6(5-13)9-7(11)3-4-8(12)10(9)14-2/h3-4,6H,5,13H2,1-2H3
InChIKeyJNFKRFPBKQPVQH-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.04
Rot. Bonds3

About 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine

2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 117290019) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
PubChem CID117290019
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(F)ccc(F)c1C(C)CN
InChIInChI=1S/C10H13F2NO/c1-6(5-13)9-7(11)3-4-8(12)10(9)14-2/h3-4,6H,5,13H2,1-2H3
InChIKeyJNFKRFPBKQPVQH-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117333867
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
3-(3,6-difluoro-2-methoxyphenyl)butanal
CID 117305266
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
3-amino-2-(3-fluoro-2-methoxy-6-methylphenyl)propanoic acid
CID 84691052
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(3-bromo-2,6-difluorophenyl)propan-1-amine
CID 106943854

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine (CID 117290019) is 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine is COc1c(F)ccc(F)c1C(C)CN.
What is the InChIKey of 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is JNFKRFPBKQPVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(5-13)9-7(11)3-4-8(12)10(9)14-2/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117290019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).