2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine

C10H13ClFNO — CID 83887883

IUPAC2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)c(Cl)c1C(C)CN
InChIInChI=1S/C10H13ClFNO/c1-6(5-13)9-8(14-2)4-3-7(12)10(9)11/h3-4,6H,5,13H2,1-2H3
InChIKeyVJOVIWVUUIDUDF-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.55
Rot. Bonds3

About 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine

2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine (PubChem CID 83887883) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
PubChem CID83887883
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)c(Cl)c1C(C)CN
InChIInChI=1S/C10H13ClFNO/c1-6(5-13)9-8(14-2)4-3-7(12)10(9)11/h3-4,6H,5,13H2,1-2H3
InChIKeyVJOVIWVUUIDUDF-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
2-(6-methoxy-2,3-dimethylphenyl)propan-1-amine
CID 117284105
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
2-(4,6-difluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117333867
2-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113261
2-chloro-1,3-difluoro-4-methoxybenzene
CID 121229982
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
2-(1-aminopropan-2-yl)-3,4-difluoro-6-methoxyphenol
CID 117309015

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine (CID 83887883) is 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine is COc1ccc(F)c(Cl)c1C(C)CN.
What is the InChIKey of 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine?
The InChIKey is VJOVIWVUUIDUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-6(5-13)9-8(14-2)4-3-7(12)10(9)11/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine?
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine has a molecular weight of 217.67 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83887883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).