3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine

C11H15ClFNO — CID 117335626

IUPAC3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
SMILESCOc1c(CCCN)cc(Cl)c(F)c1C
InChIInChI=1S/C11H15ClFNO/c1-7-10(13)9(12)6-8(4-3-5-14)11(7)15-2/h6H,3-5,14H2,1-2H3
InChIKeyFUPOKVFQIFKWEB-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.69
Rot. Bonds4

About 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine

3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine (PubChem CID 117335626) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
PubChem CID117335626
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
SMILESCOc1c(CCCN)cc(Cl)c(F)c1C
InChIInChI=1S/C11H15ClFNO/c1-7-10(13)9(12)6-8(4-3-5-14)11(7)15-2/h6H,3-5,14H2,1-2H3
InChIKeyFUPOKVFQIFKWEB-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
4-(3-chloro-2,5-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377898
3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
CID 84776584
3-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117422606
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
4-(3-fluoro-2-methoxy-5-methylphenyl)butan-1-amine
CID 117301941
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine (CID 117335626) is 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine is COc1c(CCCN)cc(Cl)c(F)c1C.
What is the InChIKey of 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine?
The InChIKey is FUPOKVFQIFKWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7-10(13)9(12)6-8(4-3-5-14)11(7)15-2/h6H,3-5,14H2,1-2H3.
What are the key properties of 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine?
3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine has a molecular weight of 231.70 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 117335626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).