3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine

C10H12ClF2NO — CID 84797782

IUPAC3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)c(Cl)c(F)c1CCCN
InChIInChI=1S/C10H12ClF2NO/c1-15-8-5-7(12)9(11)10(13)6(8)3-2-4-14/h5H,2-4,14H2,1H3
InChIKeyQUYKURATLLDFMW-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.52
Rot. Bonds4

About 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine

3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine (PubChem CID 84797782) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
PubChem CID84797782
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)c(Cl)c(F)c1CCCN
InChIInChI=1S/C10H12ClF2NO/c1-15-8-5-7(12)9(11)10(13)6(8)3-2-4-14/h5H,2-4,14H2,1H3
InChIKeyQUYKURATLLDFMW-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
CID 84797165
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
CID 84788306
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
CID 117322509

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine (CID 84797782) is 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine is COc1cc(F)c(Cl)c(F)c1CCCN.
What is the InChIKey of 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine?
The InChIKey is QUYKURATLLDFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-15-8-5-7(12)9(11)10(13)6(8)3-2-4-14/h5H,2-4,14H2,1H3.
What are the key properties of 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine?
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine has a molecular weight of 235.66 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 84797782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).