1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine

C10H12ClF2NO — CID 83896789

IUPAC1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(F)c(F)c1CC(C)N
InChIInChI=1S/C10H12ClF2NO/c1-5(14)3-6-9(13)8(12)4-7(11)10(6)15-2/h4-5H,3,14H2,1-2H3
InChIKeyKQBMGVRWBLOUQE-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.52
Rot. Bonds3

About 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine

1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine (PubChem CID 83896789) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
PubChem CID83896789
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
SMILESCOc1c(Cl)cc(F)c(F)c1CC(C)N
InChIInChI=1S/C10H12ClF2NO/c1-5(14)3-6-9(13)8(12)4-7(11)10(6)15-2/h4-5H,3,14H2,1-2H3
InChIKeyKQBMGVRWBLOUQE-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)propan-2-amine
CID 117372461
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
4-(5-chloro-2,3-difluoro-6-methoxyphenyl)butan-1-amine
CID 117377894
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117339610
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
1-(3-chloro-2,4,6-trifluorophenyl)propan-2-amine
CID 117320924
1-(8-chloro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propan-2-amine
CID 117432311
1-(2,5-dichloro-3-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 83897923

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine (CID 83896789) is 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine is COc1c(Cl)cc(F)c(F)c1CC(C)N.
What is the InChIKey of 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine?
The InChIKey is KQBMGVRWBLOUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-5(14)3-6-9(13)8(12)4-7(11)10(6)15-2/h4-5H,3,14H2,1-2H3.
What are the key properties of 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine?
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine has a molecular weight of 235.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 83896789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).