(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine

C8H8ClF2NO — CID 84675684

IUPAC(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1c(Cl)cc(CN)c(F)c1F
InChIInChI=1S/C8H8ClF2NO/c1-13-8-5(9)2-4(3-12)6(10)7(8)11/h2H,3,12H2,1H3
InChIKeyHHRSPOYCWVWBSJ-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.09
Rot. Bonds2

About (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine

(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine (PubChem CID 84675684) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
PubChem CID84675684
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
SMILESCOc1c(Cl)cc(CN)c(F)c1F
InChIInChI=1S/C8H8ClF2NO/c1-13-8-5(9)2-4(3-12)6(10)7(8)11/h2H,3,12H2,1H3
InChIKeyHHRSPOYCWVWBSJ-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.09
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

3-(5-chloro-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117379989
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991
(4-chloro-2,3,5-trifluorophenyl)methanamine
CID 117110798
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
1-chloro-3-fluoro-5-(isocyanatomethyl)-2,4-dimethoxybenzene
CID 117366456
3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)propan-1-amine
CID 117335626
(5-chloro-3-fluoro-2,4-dimethylphenyl)methanamine
CID 84770610
methane;1,2,3,4,5-pentafluoro-6-methoxybenzene;1,3,5-trichloro-2-methoxybenzene
CID 157172540
3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443306
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine (CID 84675684) is (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine is COc1c(Cl)cc(CN)c(F)c1F.
What is the InChIKey of (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine?
The InChIKey is HHRSPOYCWVWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-13-8-5(9)2-4(3-12)6(10)7(8)11/h2H,3,12H2,1H3.
What are the key properties of (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine?
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine has a molecular weight of 207.61 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 84675684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).