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

C10H13F2NO — CID 117290010

IUPAC3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(F)ccc(F)c1CCCN
InChIInChI=1S/C10H13F2NO/c1-14-10-7(3-2-6-13)8(11)4-5-9(10)12/h4-5H,2-3,6,13H2,1H3
InChIKeyBBNCGPXPWBMDSO-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.86
Rot. Bonds4

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

3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 117290010) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
PubChem CID117290010
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(F)ccc(F)c1CCCN
InChIInChI=1S/C10H13F2NO/c1-14-10-7(3-2-6-13)8(11)4-5-9(10)12/h4-5H,2-3,6,13H2,1H3
InChIKeyBBNCGPXPWBMDSO-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine (CID 117290010) is 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine is COc1c(F)ccc(F)c1CCCN.
What is the InChIKey of 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is BBNCGPXPWBMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-10-7(3-2-6-13)8(11)4-5-9(10)12/h4-5H,2-3,6,13H2,1H3.
What are the key properties of 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine?
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 117290010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).